3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-(4-phenylazanylphenyl)propanamide

Systemtic Name: 3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-(4-phenylazanylphenyl)propanamide Openeye Name: N-(4-anilinophenyl)-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(4-anilinophenyl)-3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-(4-anilinophenyl)-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(4-anilinophenyl)-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-14-18(20(27)25-21(22-14)28-2)12-13-19(26)24-17-10-8-16(9-11-17)23-15-6-4-3-5-7-15/h3-11,23H,12-13H2,1-2H3,(H,24,26)(H,22,25,27)