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

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H23N7O2 MolecularWeight: 333.38882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCCCN2C=CN=C2

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCCCN2C=CN=C2

InChI

InChI=1S/C15H23N7O2/c1-12(2)4-6-18-15-13(22(23)24)14(19-10-20-15)17-5-3-8-21-9-7-16-11-21/h7,9-12H,3-6,8H2,1-2H3,(H2,17,18,19,20)