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

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 2-benzyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-benzyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzyl-4-keto-5-methyl-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=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC=C3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C21H22N2O3S/c1-13-17-19(24)22-16(12-14-8-4-2-5-9-14)23-20(17)27-18(13)21(25)26-15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H,22,23,24)