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2-[4-(dipropylamino)-3-nitro-phenyl]ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
2-[4-(dipropylamino)-3-nitro-phenyl]ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
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Descriptors Computed from Structure
Canonical SMILES:
CCCN(CCC)C1=C(C=C(C=C1)CCOC(=O)C2=C(NC(=S)NC2CO)C)[N+](=O)[O-]
Isomeric SMILES
CCCN(CCC)C1=C(C=C(C=C1)CCOC(=O)C2=C(NC(=S)NC2CO)C)[N+](=O)[O-]
InChI
InChI=1S/C21H30N4O5S/c1-4-9-24(10-5-2)17-7-6-15(12-18(17)25(28)29)8-11-30-20(27)19-14(3)22-21(31)23-16(19)13-26/h6-7,12,16,26H,4-5,8-11,13H2,1-3H3,(H2,22,23,31)
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- 2-oxidanylidene-3-sulfanyl-propanoic acid
- 3-oxidanylbenzaldehyde
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- 2-azanyl-3-oxidanyl-benzoic acid
- 3-(3-hydroxyphenyl)propanoic acid
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- (2Z)-10-[dimethylsulfamoyl(methyl)amino]-2-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-8-methyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepine-3,4-dione
- (2Z)-2-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-8-methyl-10-[methyl-(phenylmethyl)amino]-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepine-3,4-dione
- N-[(2Z)-2-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-8-methyl-3,4-bis(oxidanylidene)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N',N'-dimethyl-ethanediamide
- N-[(2Z)-2-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-8-methyl-3,4-bis(oxidanylidene)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N-methyl-methanesulfonamide
- 2-[4-[cyclopropyl(ethyl)amino]-3-nitro-phenyl]ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 2-[4-[cyclopropyl(propyl)amino]-3-nitro-phenyl]ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- methyl N-[(2Z)-2-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-8-methyl-3,4-bis(oxidanylidene)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N-methyl-carbamate
- 2-[4-[methyl(prop-2-enyl)amino]-3-nitro-phenyl]ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 2-[(2Z)-2-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-3,4-bis(oxidanylidene)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-8-yl]-N,N-dimethyl-2-oxidanylidene-ethanamide
- 2-[4-[ethyl(prop-2-enyl)amino]-3-nitro-phenyl]ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
