cyclohexyl 5-methyl-4-oxidanylidene-3-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-3-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-3-[1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-oxo-3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-1-methyl-2-(4-phenoxyanilino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O5S/c1-18-24-27(38-25(18)29(35)37-22-11-7-4-8-12-22)30-17-32(28(24)34)19(2)26(33)31-20-13-15-23(16-14-20)36-21-9-5-3-6-10-21/h3,5-6,9-10,13-17,19,22H,4,7-8,11-12H2,1-2H3,(H,31,33)