ethyl 4-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H19N7O4 MolecularWeight: 397.38796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C18H19N7O4/c1-2-29-18(26)23-9-7-22(8-10-23)16-15(25(27)28)17(20-11-19-16)24-12-21-13-5-3-4-6-14(13)24/h3-6,11-12H,2,7-10H2,1H3