6-(benzimidazol-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzimidazol-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-[3-(1-imidazolyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C17H16N8O2 MolecularWeight: 364.36134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N8O2/c26-25(27)15-16(19-6-3-8-23-9-7-18-11-23)20-10-21-17(15)24-12-22-13-4-1-2-5-14(13)24/h1-2,4-5,7,9-12H,3,6,8H2,(H,19,20,21)