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

Systemtic Name: 5-[4-(6-azanylhexylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-(6-aminohexylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[4-(6-aminohexylamino)-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[4-(6-aminohexylamino)-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: 6-aminohexyl-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]amine Formula: C18H27N7O2 MolecularWeight: 373.45268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N7O2/c1-2-13-16(17(20)24-18(21)23-13)12-7-8-14(15(11-12)25(26)27)22-10-6-4-3-5-9-19/h7-8,11,22H,2-6,9-10,19H2,1H3,(H4,20,21,23,24)