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

Systemtic Name: phenethyl 5-methyl-3-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-[1-methyl-2-(2-methylanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[1-(2-methylanilino)-1-oxopropan-2-yl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-[1-(2-methylanilino)-1-oxopropan-2-yl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-1-methyl-2-(o-toluidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O4S/c1-16-9-7-8-12-20(16)28-23(30)18(3)29-15-27-24-21(25(29)31)17(2)22(34-24)26(32)33-14-13-19-10-5-4-6-11-19/h4-12,15,18H,13-14H2,1-3H3,(H,28,30)