N6-(3-imidazol-1-ylpropyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C17H26N8O2 MolecularWeight: 374.44074

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C17H26N8O2/c1-22-9-4-14(5-10-22)23(2)17-15(25(26)27)16(20-12-21-17)19-6-3-8-24-11-7-18-13-24/h7,11-14H,3-6,8-10H2,1-2H3,(H,19,20,21)