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

Systemtic Name: N6-hexadecyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amine Formula: C27H43N5O2 MolecularWeight: 469.66262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-26-25(32(33)34)27(30-22-29-26)31-24-19-17-18-23(2)21-24/h17-19,21-22H,3-16,20H2,1-2H3,(H2,28,29,30,31)