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

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide Openeye Name: 2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanyl-N-(p-tolyl)propanamide CAS Name: 2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide Traditional Name: 2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]-N-(p-tolyl)propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2CCC3=CC=CC=C3)N

InChI

InChI=1S/C22H24N4O2S/c1-15-8-10-18(11-9-15)24-21(28)16(2)29-22-25-20(27)14-19(23)26(22)13-12-17-6-4-3-5-7-17/h3-11,14,16H,12-13,23H2,1-2H3,(H,24,28)