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5-phenyl-2-sulfanylidene-6-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one
5-phenyl-2-sulfanylidene-6-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)C2=C(NC(=S)NC2=O)C3=CC=C(C=C3)C(F)(F)F
Isomeric SMILES
C1=CC=C(C=C1)C2=C(NC(=S)NC2=O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C17H11F3N2OS/c18-17(19,20)12-8-6-11(7-9-12)14-13(10-4-2-1-3-5-10)15(23)22-16(24)21-14/h1-9H,(H2,21,22,23,24)
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- (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoic acid
- (4S)-4-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-6-azanyl-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid
- 2-[1-(3-fluoranyl-5-pyridin-4-ylsulfanyl-phenyl)pyrazol-3-yl]pyridine
- (6R,7R)-3-[2-[[(4S)-4-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]ethylsulfanylmethyl]-7-[8-[[(9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]carbonylamino]octanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoic acid
- 3-[3-(5-pyridin-2-yl-1,2,3,4-tetrazol-2-yl)phenyl]benzenecarbonitrile
- N'-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxidanylidene-ethyl]-N'-(4-methylcyclohexyl)ethanehydrazide
- (2S)-2-[2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid
- (phenylmethyl) N-[2-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamate
- 2-[[1-(2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[[1-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-1-[(3R,4R,5R)-3-methoxy-5-(methylaminomethyl)-4-oxidanyl-oxolan-2-yl]oxy-3-oxidanyl-3-oxidanylidene-propan-2-yl]-[12-(4-methylmorpholin-4-ium-4-yl)dodecyl]amino]propylamino]-4-methyl-3-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-methyl-butanoic acid
