(2S)-2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide

Systemtic Name: (2S)-2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(p-tolyl)propanamide CAS Name: (2S)-2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(p-tolyl)propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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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)C)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=O)C=C(N2C3=CC=CC(=C3)C)N

InChI

InChI=1S/C21H22N4O2S/c1-13-7-9-16(10-8-13)23-20(27)15(3)28-21-24-19(26)12-18(22)25(21)17-6-4-5-14(2)11-17/h4-12,15H,22H2,1-3H3,(H,23,27)/t15-/m0/s1