ethyl 1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(3-nitroanilino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(3-nitroanilino)-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(3-nitroanilino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1-[2-keto-2-(3-nitroanilino)ethyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20N4O6S MolecularWeight: 468.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O6S/c1-2-32-21(29)18-12-23-22(33-14-15-7-4-3-5-8-15)25(20(18)28)13-19(27)24-16-9-6-10-17(11-16)26(30)31/h3-12H,2,13-14H2,1H3,(H,24,27)