N6-hexadecyl-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-methyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(cetylamino)-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C27H43N5O2 MolecularWeight: 469.66262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-26-25(32(33)34)27(30-23-29-26)31(2)24-20-17-16-18-21-24/h16-18,20-21,23H,3-15,19,22H2,1-2H3,(H,28,29,30)