2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide Openeye Name: 2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(p-tolyl)propanamide CAS Name: 2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide Traditional Name: 2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]-N-(p-tolyl)propionamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

InChI

InChI=1S/C20H20N4O2S/c1-13-8-10-15(11-9-13)22-19(26)14(2)27-20-23-18(25)12-17(21)24(20)16-6-4-3-5-7-16/h3-12,14H,21H2,1-2H3,(H,22,26)