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

Systemtic Name: N4-(2,3-dimethylphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,3-dimethylphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,3-dimethylphenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dimethylphenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(2,3-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(=C2C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2C)C

InChI

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