5-[4-(12-azanyldodecylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[4-(12-azanyldodecylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-(12-aminododecylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-(12-aminododecylamino)-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-(12-aminododecylamino)-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: 12-aminododecyl-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]amine Formula: C24H39N7O2 MolecularWeight: 457.61216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCCCCCCCCCCCN)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCCCCCCCCCCCN)[N+](=O)[O-]

InChI

InChI=1S/C24H39N7O2/c1-2-19-22(23(26)30-24(27)29-19)18-13-14-20(21(17-18)31(32)33)28-16-12-10-8-6-4-3-5-7-9-11-15-25/h13-14,17,28H,2-12,15-16,25H2,1H3,(H4,26,27,29,30)