(2S)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-acetylphenyl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-(3-acetylphenyl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(3-acetylphenyl)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-N-(3-acetylphenyl)-2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-2-phenyl-acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C20H18N4O3S/c1-12(25)14-8-5-9-15(10-14)22-19(27)18(13-6-3-2-4-7-13)28-20-23-16(21)11-17(26)24-20/h2-11,18H,1H3,(H,22,27)(H3,21,23,24,26)/t18-/m0/s1