3-[(4-azanyl-5-nitro-6-piperidin-1-yl-pyrimidin-2-yl)amino]propylazanium

Systemtic Name: 3-[(4-azanyl-5-nitro-6-piperidin-1-yl-pyrimidin-2-yl)amino]propylazanium Openeye Name: 3-[[4-amino-5-nitro-6-(1-piperidyl)pyrimidin-2-yl]amino]propylammonium CAS Name: 3-[[4-amino-5-nitro-6-(1-piperidinyl)-2-pyrimidinyl]amino]propylammonium IUPAC Name: 3-[(4-amino-5-nitro-6-piperidin-1-ylpyrimidin-2-yl)amino]propylazanium Traditional Name: 3-[(4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)amino]propylammonium Formula: C12H22N7O2+ MolecularWeight: 296.34878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC(=N2)NCCC[NH3+])N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC(=N2)NCCC[NH3+])N)[N+](=O)[O-]

InChI

InChI=1S/C12H21N7O2/c13-5-4-6-15-12-16-10(14)9(19(20)21)11(17-12)18-7-2-1-3-8-18/h1-8,13H2,(H3,14,15,16,17)/p+1