6-(2-ethylpiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(2-ethylpiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(2-ethyl-1-piperidyl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(2-ethyl-1-piperidinyl)-N-[3-(1-imidazolyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(2-ethylpiperidin-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C17H25N7O2 MolecularWeight: 359.4261

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N7O2/c1-2-14-6-3-4-10-23(14)17-15(24(25)26)16(20-12-21-17)19-7-5-9-22-11-8-18-13-22/h8,11-14H,2-7,9-10H2,1H3,(H,19,20,21)