N-[6-azanyl-2-(2-diethylaminoethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[6-azanyl-2-(2-diethylaminoethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-2-(2-diethylaminoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-(2-diethylaminoethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-2-(2-diethylaminoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-2-(2-diethylaminoethylthio)-4-keto-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C18H22F3N5O2S MolecularWeight: 429.45979

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCN(CC)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H22F3N5O2S/c1-3-26(4-2)9-10-29-17-24-14(22)13(16(28)25-17)23-15(27)11-5-7-12(8-6-11)18(19,20)21/h5-8H,3-4,9-10H2,1-2H3,(H,23,27)(H3,22,24,25,28)