N6-(4-butylphenyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butylphenyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C23H22N6O2 MolecularWeight: 414.45978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O2/c1-2-3-6-16-10-12-18(13-11-16)27-22-21(29(30)31)23(26-15-25-22)28-19-9-4-7-17-8-5-14-24-20(17)19/h4-5,7-15H,2-3,6H2,1H3,(H2,25,26,27,28)