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

Systemtic Name: phenethyl 3-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C25H22N4O7S MolecularWeight: 522.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O7S/c1-15-21-23(37-22(15)25(32)36-11-10-16-6-4-3-5-7-16)26-14-28(24(21)31)13-20(30)27-18-9-8-17(35-2)12-19(18)29(33)34/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,30)