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

Systemtic Name: ethyl (4R,5S)-4-(3-nitrophenyl)-6-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R,5S)-4-(3-nitrophenyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-nitrophenyl)-6-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-4-(3-nitrophenyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5S)-6-keto-4-(3-nitrophenyl)-2-[4-(2-pyrimidyl)piperazino]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H23N7O5 MolecularWeight: 453.45122

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H23N7O5/c1-2-33-19(30)16-17(14-5-3-6-15(13-14)28(31)32)24-21(25-18(16)29)27-11-9-26(10-12-27)20-22-7-4-8-23-20/h3-8,13,16-17H,2,9-12H2,1H3,(H,24,25,29)/t16-,17-/m0/s1