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

Systemtic Name: N2-[(1R,2S)-2-azanylcyclohexyl]-N2-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine Openeye Name: N2-[(1R,2S)-2-aminocyclohexyl]-N2-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine CAS Name: N2-[(1R,2S)-2-aminocyclohexyl]-N2-(3-chlorophenyl)-9-ethylpurine-2,6-diamine IUPAC Name: 2-N-[(1R,2S)-2-aminocyclohexyl]-2-N-(3-chlorophenyl)-9-ethylpurine-2,6-diamine Traditional Name: [(1R,2S)-2-aminocyclohexyl]-(6-amino-9-ethyl-purin-2-yl)-(3-chlorophenyl)amine Formula: C19H24ClN7 MolecularWeight: 385.89376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2N)N(C3CCCCC3N)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2N)N([C@@H]3CCCC[C@@H]3N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H24ClN7/c1-2-26-11-23-16-17(22)24-19(25-18(16)26)27(13-7-5-6-12(20)10-13)15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,22,24,25)/t14-,15+/m0/s1