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

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C28H45N5O4 MolecularWeight: 515.688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-27-26(33(34)35)28(31-22-30-27)32-24-21-23(36-2)18-19-25(24)37-3/h18-19,21-22H,4-17,20H2,1-3H3,(H2,29,30,31,32)