N4-(2-bromophenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-bromophenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-bromophenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-bromophenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-bromophenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-bromoanilino)-5-nitro-pyrimidin-4-yl]-cetyl-amine Formula: C26H40BrN5O2 MolecularWeight: 534.5321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2Br

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2Br

InChI

InChI=1S/C26H40BrN5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-25-24(32(33)34)26(30-21-29-25)31-23-19-16-15-18-22(23)27/h15-16,18-19,21H,2-14,17,20H2,1H3,(H2,28,29,30,31)