N4-(3,5-dimethylphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3,5-dimethylphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,5-dimethylphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,5-dimethylphenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(3,5-dimethylanilino)-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(=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H45N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-27-26(33(34)35)28(31-22-30-27)32-25-20-23(2)19-24(3)21-25/h19-22H,4-18H2,1-3H3,(H2,29,30,31,32)