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

Systemtic Name: N6-hexadecyl-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-(3-pyridylmethylamino)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-])NCC2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C26H42N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-25-24(32(33)34)26(31-22-30-25)29-21-23-17-16-18-27-20-23/h16-18,20,22H,2-15,19,21H2,1H3,(H2,28,29,30,31)