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

Systemtic Name: cyclohexyl 5-methyl-3-[(3-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-3-(m-tolylmethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[(3-methylphenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-3-[(3-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(3-methylbenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C22H24N2O3S/c1-14-7-6-8-16(11-14)12-24-13-23-20-18(21(24)25)15(2)19(28-20)22(26)27-17-9-4-3-5-10-17/h6-8,11,13,17H,3-5,9-10,12H2,1-2H3