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

Systemtic Name: 2-[6-azanyl-1-(3-methylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)propanamide Openeye Name: 2-[6-amino-1-(m-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)propanamide CAS Name: 2-[[6-amino-1-(3-methylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(3-chlorophenyl)propanamide IUPAC Name: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)propanamide Traditional Name: 2-[[6-amino-4-keto-1-(m-tolyl)pyrimidin-2-yl]thio]-N-(3-chlorophenyl)propionamide Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(C)C(=O)NC3=CC(=CC=C3)Cl)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SC(C)C(=O)NC3=CC(=CC=C3)Cl)N

InChI

InChI=1S/C20H19ClN4O2S/c1-12-5-3-8-16(9-12)25-17(22)11-18(26)24-20(25)28-13(2)19(27)23-15-7-4-6-14(21)10-15/h3-11,13H,22H2,1-2H3,(H,23,27)