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

Systemtic Name: cyclohexyl 5-methyl-3-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-3-[2-(3-nitroanilino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(3-nitroanilino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-3-[2-(3-nitroanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(3-nitroanilino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC4CCCCC4

InChI

InChI=1S/C22H22N4O6S/c1-13-18-20(33-19(13)22(29)32-16-8-3-2-4-9-16)23-12-25(21(18)28)11-17(27)24-14-6-5-7-15(10-14)26(30)31/h5-7,10,12,16H,2-4,8-9,11H2,1H3,(H,24,27)