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

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-oxo-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(4-phenylphenyl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-oxo-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(4-phenylphenyl)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O4S/c1-18-24-26(35-25(18)28(33)34-22-10-6-3-7-11-22)29-17-30(27(24)32)16-23(31)21-14-12-20(13-15-21)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11,16H2,1H3