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

Systemtic Name: ethyl 3-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(2-ethylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(2-ethylanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-ethylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(2-ethylanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C20H21N3O4S/c1-4-13-8-6-7-9-14(13)22-15(24)10-23-11-21-18-16(19(23)25)12(3)17(28-18)20(26)27-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,22,24)