N4-hexadecyl-N6-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-hexadecyl-N6-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-hexadecyl-N6-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-hexadecyl-N6-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-hexadecyl-6-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H39N5O2 MolecularWeight: 393.56666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC

InChI

InChI=1S/C21H39N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-21-19(26(27)28)20(22-2)24-18-25-21/h18H,3-17H2,1-2H3,(H2,22,23,24,25)