N6-hexadecyl-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C25H40N6O2 MolecularWeight: 456.6241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27-24-23(31(32)33)25(29-21-28-24)30-22-17-16-18-26-20-22/h16-18,20-21H,2-15,19H2,1H3,(H2,27,28,29,30)