N6-(3-imidazol-1-ylpropyl)-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H20N8O2 MolecularWeight: 404.4252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N8O2/c1-14-6-7-15-16(25-14)4-2-5-17(15)26-20-18(28(29)30)19(23-12-24-20)22-8-3-10-27-11-9-21-13-27/h2,4-7,9,11-13H,3,8,10H2,1H3,(H2,22,23,24,26)