cyclohexyl 5-methyl-2-(3-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 5-methyl-2-(3-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-2-(m-tolyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-2-(3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(m-tolyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C(=C(S3)C(=O)OC4CCCCC4)C)C(=O)N2

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=C(S3)C(=O)OC4CCCCC4)C)C(=O)N2

InChI

InChI=1S/C21H22N2O3S/c1-12-7-6-8-14(11-12)18-22-19(24)16-13(2)17(27-20(16)23-18)21(25)26-15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10H2,1-2H3,(H,22,23,24)