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

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H21N7O3 MolecularWeight: 335.36164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCCN2C=CN=C2

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCCN2C=CN=C2

InChI

InChI=1S/C14H21N7O3/c1-24-9-3-5-17-14-12(21(22)23)13(18-10-19-14)16-4-2-7-20-8-6-15-11-20/h6,8,10-11H,2-5,7,9H2,1H3,(H2,16,17,18,19)