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

Systemtic Name: 2-methylpropyl 5-methyl-4-oxidanylidene-3-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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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)OCC(C)C

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)OCC(C)C

InChI

InChI=1S/C27H27N3O5S/c1-16(2)14-34-27(33)23-17(3)22-25(36-23)28-15-30(26(22)32)18(4)24(31)29-19-10-12-21(13-11-19)35-20-8-6-5-7-9-20/h5-13,15-16,18H,14H2,1-4H3,(H,29,31)