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

Systemtic Name: cyclohexyl 2-(diphenylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 2-benzhydryl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(diphenylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-benzhydryl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzhydryl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC5CCCCC5

InChI

InChI=1S/C27H26N2O3S/c1-17-21-25(30)28-24(22(18-11-5-2-6-12-18)19-13-7-3-8-14-19)29-26(21)33-23(17)27(31)32-20-15-9-4-10-16-20/h2-3,5-8,11-14,20,22H,4,9-10,15-16H2,1H3,(H,28,29,30)