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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H22N8O2 MolecularWeight: 346.38758

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H22N8O2/c1-20-7-9-22(10-8-20)15-13(23(24)25)14(18-11-19-15)17-3-2-5-21-6-4-16-12-21/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,17,18,19)