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

Systemtic Name: ethyl 3-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-5-14-7-9-15(10-8-14)23-18(25)13(4)24-11-22-19-16(20(24)26)12(3)17(29-19)21(27)28-6-2/h7-11,13H,5-6H2,1-4H3,(H,23,25)