2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)-2-phenylacetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC(=O)C=C(N3)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC(=O)C=C(N3)N)C

InChI

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