ethyl (4R,5S)-4-(3-nitrophenyl)-6-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R,5S)-4-(3-nitrophenyl)-6-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R,5S)-4-(3-nitrophenyl)-6-oxo-2-[4-(2-pyridyl)piperazin-1-yl]-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-nitrophenyl)-6-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-4-(3-nitrophenyl)-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5S)-6-keto-4-(3-nitrophenyl)-2-[4-(2-pyridyl)piperazino]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=CC=CC=N3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](N=C(NC1=O)N2CCN(CC2)C3=CC=CC=N3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O5/c1-2-33-21(30)18-19(15-6-5-7-16(14-15)28(31)32)24-22(25-20(18)29)27-12-10-26(11-13-27)17-8-3-4-9-23-17/h3-9,14,18-19H,2,10-13H2,1H3,(H,24,25,29)/t18-,19-/m0/s1