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

Systemtic Name: ethyl 4-[(2-methoxy-5-nitro-phenyl)amino]-2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2-methoxy-5-nitro-anilino)-2-(2-methoxy-2-oxo-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-methoxy-5-nitroanilino)-2-(2-methoxy-2-oxoethyl)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxy-5-nitroanilino)-2-(2-methoxy-2-oxoethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-4-(2-methoxy-5-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O7S/c1-5-31-20(26)17-10(2)16-18(22-14(9-15(25)30-4)23-19(16)32-17)21-12-8-11(24(27)28)6-7-13(12)29-3/h6-8H,5,9H2,1-4H3,(H,21,22,23)