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

Systemtic Name: N4-(4-ethylphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-ethylphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-ethylphenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethylphenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(4-ethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C28H45N5O2 MolecularWeight: 483.6892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N5O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-27-26(33(34)35)28(31-23-30-27)32-25-20-18-24(4-2)19-21-25/h18-21,23H,3-17,22H2,1-2H3,(H2,29,30,31,32)