N6-hexadecyl-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-(3-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C26H42N6O2 MolecularWeight: 470.65068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC=N2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC=N2)C

InChI

InChI=1S/C26H42N6O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-23(32(33)34)26(30-21-29-25)31-24-22(2)18-17-20-27-24/h17-18,20-21H,3-16,19H2,1-2H3,(H2,27,28,29,30,31)