6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-hexadecyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C28H43ClN4O3 MolecularWeight: 519.11902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C28H43ClN4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-27-26(33(34)35)28(32-21-31-27)36-24-19-22(2)25(29)23(3)20-24/h19-21H,4-18H2,1-3H3,(H,30,31,32)