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

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-oxo-3-[2-oxo-2-(4-phenoxyanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(4-phenoxyanilino)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-oxo-3-[2-oxo-2-(4-phenoxyanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(4-phenoxyanilino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)OC5CCCCC5

InChI

InChI=1S/C28H27N3O5S/c1-18-24-26(37-25(18)28(34)36-21-10-6-3-7-11-21)29-17-31(27(24)33)16-23(32)30-19-12-14-22(15-13-19)35-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H,30,32)