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

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C28H44ClN5O4 MolecularWeight: 550.13306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C28H44ClN5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-27-26(34(35)36)28(32-21-31-27)33-23-19-22(29)24(37-2)20-25(23)38-3/h19-21H,4-18H2,1-3H3,(H2,30,31,32,33)