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

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

Isomeric SMILES

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

InChI

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