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

Systemtic Name: N2-[(1R,2S)-2-azanylcyclohexyl]-9-ethyl-N6-(3-methoxyphenyl)purine-2,6-diamine Openeye Name: N2-[(1R,2S)-2-aminocyclohexyl]-9-ethyl-N6-(3-methoxyphenyl)purine-2,6-diamine CAS Name: N2-[(1R,2S)-2-aminocyclohexyl]-9-ethyl-N6-(3-methoxyphenyl)purine-2,6-diamine IUPAC Name: 2-N-[(1R,2S)-2-aminocyclohexyl]-9-ethyl-6-N-(3-methoxyphenyl)purine-2,6-diamine Traditional Name: [(1R,2S)-2-aminocyclohexyl]-[9-ethyl-6-(m-anisidino)purin-2-yl]amine Formula: C20H27N7O MolecularWeight: 381.47468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7O/c1-3-27-12-22-17-18(23-13-7-6-8-14(11-13)28-2)25-20(26-19(17)27)24-16-10-5-4-9-15(16)21/h6-8,11-12,15-16H,3-5,9-10,21H2,1-2H3,(H2,23,24,25,26)/t15-,16+/m0/s1