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

Systemtic Name: N6-hexadecyl-N4-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C28H45N5O2 MolecularWeight: 483.6892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)C

InChI

InChI=1S/C28H45N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-27-26(33(34)35)28(32-23-31-27)30-22-25-19-17-24(2)18-20-25/h17-20,23H,3-16,21-22H2,1-2H3,(H2,29,30,31,32)