5-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]-6-ethyl-pyrimidine-2,4-diamine iodide

Systemtic Name: 5-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]-6-ethyl-pyrimidine-2,4-diamine iodide Openeye Name: 5-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]-6-ethyl-pyrimidine-2,4-diamine iodide CAS Name: 5-[4-(4,4-dimethyl-1-piperazin-4-iumyl)phenyl]-6-ethylpyrimidine-2,4-diamine iodide IUPAC Name: 5-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]-6-ethylpyrimidine-2,4-diamine iodide Traditional Name: [2-amino-5-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]-6-ethyl-pyrimidin-4-yl]amine iodide Formula: C18H27IN6 MolecularWeight: 454.35165

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)N3CC[N+](CC3)(C)C.[I-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)N3CC[N+](CC3)(C)C.[I-]

InChI

InChI=1S/C18H27N6.HI/c1-4-15-16(17(19)22-18(20)21-15)13-5-7-14(8-6-13)23-9-11-24(2,3)12-10-23;/h5-8H,4,9-12H2,1-3H3,(H4,19,20,21,22);1H/q+1;/p-1