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

Systemtic Name: N4-(2-chloranylpyridin-3-yl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-chloro-3-pyridyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-chloro-3-pyridinyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-chloropyridin-3-yl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C25H39ClN6O2 MolecularWeight: 491.06916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39ClN6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-24-22(32(33)34)25(30-20-29-24)31-21-17-16-19-27-23(21)26/h16-17,19-20H,2-15,18H2,1H3,(H2,28,29,30,31)