N2-[(1R,2S)-2-azanylcyclohexyl]-N6-(3,4-dichlorophenyl)-9-ethyl-purine-2,6-diamine

Systemtic Name: N2-[(1R,2S)-2-azanylcyclohexyl]-N6-(3,4-dichlorophenyl)-9-ethyl-purine-2,6-diamine Openeye Name: N2-[(1R,2S)-2-aminocyclohexyl]-N6-(3,4-dichlorophenyl)-9-ethyl-purine-2,6-diamine CAS Name: N2-[(1R,2S)-2-aminocyclohexyl]-N6-(3,4-dichlorophenyl)-9-ethylpurine-2,6-diamine IUPAC Name: 2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-(3,4-dichlorophenyl)-9-ethylpurine-2,6-diamine Traditional Name: [(1R,2S)-2-aminocyclohexyl]-[6-(3,4-dichloroanilino)-9-ethyl-purin-2-yl]amine Formula: C19H23Cl2N7 MolecularWeight: 420.33882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=C(C=C3)Cl)Cl)NC4CCCCC4N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=C(C=C3)Cl)Cl)N[C@@H]4CCCC[C@@H]4N

InChI

InChI=1S/C19H23Cl2N7/c1-2-28-10-23-16-17(24-11-7-8-12(20)13(21)9-11)26-19(27-18(16)28)25-15-6-4-3-5-14(15)22/h7-10,14-15H,2-6,22H2,1H3,(H2,24,25,26,27)/t14-,15+/m0/s1