N4-[(2-chlorophenyl)methyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(2-chlorophenyl)methyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(2-chlorophenyl)methyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(2-chlorophenyl)methyl]-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(2-chlorophenyl)methyl]-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[(2-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C27H42ClN5O2 MolecularWeight: 504.10768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2Cl

InChI

InChI=1S/C27H42ClN5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-29-26-25(33(34)35)27(32-22-31-26)30-21-23-18-15-16-19-24(23)28/h15-16,18-19,22H,2-14,17,20-21H2,1H3,(H2,29,30,31,32)