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

Systemtic Name: ethyl 2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-4-[(3-nitrophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(2-methoxy-2-oxo-ethyl)-5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(3-nitroanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H18N4O6S MolecularWeight: 430.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N4O6S/c1-4-29-19(25)16-10(2)15-17(20-11-6-5-7-12(8-11)23(26)27)21-13(9-14(24)28-3)22-18(15)30-16/h5-8H,4,9H2,1-3H3,(H,20,21,22)