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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=C(C=CC=C3C)C)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=C(C=CC=C3C)C)N

InChI

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