N4-(5-chloranyl-2-methyl-phenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C27H42ClN5O2 MolecularWeight: 504.10768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42ClN5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-26-25(33(34)35)27(31-21-30-26)32-24-20-23(28)18-17-22(24)2/h17-18,20-21H,3-16,19H2,1-2H3,(H2,29,30,31,32)