N4-(3-bromophenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-cetyl-amine Formula: C26H40BrN5O2 MolecularWeight: 534.5321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Br

InChI

InChI=1S/C26H40BrN5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-25-24(32(33)34)26(30-21-29-25)31-23-18-16-17-22(27)20-23/h16-18,20-21H,2-15,19H2,1H3,(H2,28,29,30,31)