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

Systemtic Name: phenethyl 3-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[1-(4-ethylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[1-(4-ethylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O4S/c1-4-19-10-12-21(13-11-19)29-24(31)18(3)30-16-28-25-22(26(30)32)17(2)23(35-25)27(33)34-15-14-20-8-6-5-7-9-20/h5-13,16,18H,4,14-15H2,1-3H3,(H,29,31)