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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H23N7O2 MolecularWeight: 345.39952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N7O2/c1-13-4-2-8-22(10-13)16-14(23(24)25)15(19-11-20-16)18-5-3-7-21-9-6-17-12-21/h6,9,11-13H,2-5,7-8,10H2,1H3,(H,18,19,20)