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

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C19H18N4O5S/c1-4-14-20-11(3)16-10(2)17(29-18(16)22-14)19(25)28-9-15(24)21-12-7-5-6-8-13(12)23(26)27/h5-8H,4,9H2,1-3H3,(H,21,24)