N2-[2-(2-azanylethylamino)ethyl]-N6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine

Systemtic Name: N2-[2-(2-azanylethylamino)ethyl]-N6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine Openeye Name: N2-[2-(2-aminoethylamino)ethyl]-N6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine CAS Name: N2-[2-(2-aminoethylamino)ethyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine IUPAC Name: 2-N-[2-(2-aminoethylamino)ethyl]-6-N-(3-chlorophenyl)-9-ethylpurine-2,6-diamine Traditional Name: 2-aminoethyl-[2-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amino]ethyl]amine Formula: C17H23ClN8 MolecularWeight: 374.87112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NCCNCCN

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NCCNCCN

InChI

InChI=1S/C17H23ClN8/c1-2-26-11-22-14-15(23-13-5-3-4-12(18)10-13)24-17(25-16(14)26)21-9-8-20-7-6-19/h3-5,10-11,20H,2,6-9,19H2,1H3,(H2,21,23,24,25)