methyl 4-[(4-methoxy-3-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-[(4-methoxy-3-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-(4-methoxy-3-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-methoxy-3-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxy-3-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-methoxy-3-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H14N4O5S MolecularWeight: 374.37116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H14N4O5S/c1-8-12-14(17-7-18-15(12)26-13(8)16(21)25-3)19-9-4-5-11(24-2)10(6-9)20(22)23/h4-7H,1-3H3,(H,17,18,19)