N6-hexadecyl-N4-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-N4-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C23H43N5O3 MolecularWeight: 437.61922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C23H43N5O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-22-21(28(29)30)23(27-20-26-22)25-18-19-31-2/h20H,3-19H2,1-2H3,(H2,24,25,26,27)