N6-(2-methylquinolin-5-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2-methylquinolin-5-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-methyl-5-quinolinyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C28H24N6O2 MolecularWeight: 476.52916

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)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H24N6O2/c1-20-15-16-23-24(31-20)13-8-14-25(23)32-27-26(34(35)36)28(30-19-29-27)33(17-21-9-4-2-5-10-21)18-22-11-6-3-7-12-22/h2-16,19H,17-18H2,1H3,(H,29,30,32)