N6-(3-bromophenyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-bromophenyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-(3-bromophenyl)-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-(3-bromophenyl)-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-bromophenyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C19H13BrN6O2 MolecularWeight: 437.24952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)Br)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)Br)N=CC=C2

InChI

InChI=1S/C19H13BrN6O2/c20-13-6-2-7-14(10-13)24-18-17(26(27)28)19(23-11-22-18)25-15-8-1-4-12-5-3-9-21-16(12)15/h1-11H,(H2,22,23,24,25)