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

Systemtic Name: phenethyl 3-[1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-1-methyl-2-(p-anisidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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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)OC)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)NC3=CC=C(C=C3)OC)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S/c1-16-21-24(35-22(16)26(32)34-14-13-18-7-5-4-6-8-18)27-15-29(25(21)31)17(2)23(30)28-19-9-11-20(33-3)12-10-19/h4-12,15,17H,13-14H2,1-3H3,(H,28,30)