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

Systemtic Name: N2-[(1R,2S)-2-azanylcyclohexyl]-9-ethyl-N6-(4-fluorophenyl)purine-2,6-diamine Openeye Name: N2-[(1R,2S)-2-aminocyclohexyl]-9-ethyl-N6-(4-fluorophenyl)purine-2,6-diamine CAS Name: N2-[(1R,2S)-2-aminocyclohexyl]-9-ethyl-N6-(4-fluorophenyl)purine-2,6-diamine IUPAC Name: 2-N-[(1R,2S)-2-aminocyclohexyl]-9-ethyl-6-N-(4-fluorophenyl)purine-2,6-diamine Traditional Name: [(1R,2S)-2-aminocyclohexyl]-[9-ethyl-6-(4-fluoroanilino)purin-2-yl]amine Formula: C19H24FN7 MolecularWeight: 369.439163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN7/c1-2-27-11-22-16-17(23-13-9-7-12(20)8-10-13)25-19(26-18(16)27)24-15-6-4-3-5-14(15)21/h7-11,14-15H,2-6,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1