9-[(2S,3R)-6-(2-methylphenyl)-2-phenylmethoxy-hexan-3-yl]purin-6-amine

Systemtic Name: 9-[(2S,3R)-6-(2-methylphenyl)-2-phenylmethoxy-hexan-3-yl]purin-6-amine Openeye Name: 9-[(1R)-1-[(1S)-1-benzyloxyethyl]-4-(o-tolyl)butyl]purin-6-amine CAS Name: 9-[(2S,3R)-6-(2-methylphenyl)-2-phenylmethoxyhexan-3-yl]-6-purinamine IUPAC Name: 9-[(2S,3R)-6-(2-methylphenyl)-2-phenylmethoxyhexan-3-yl]purin-6-amine Traditional Name: [9-[(1R)-1-[(1S)-1-benzoxyethyl]-4-(o-tolyl)butyl]purin-6-yl]amine Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCC(C(C)OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

CC1=CC=CC=C1CCC[C@H]([C@H](C)OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C25H29N5O/c1-18-9-6-7-12-21(18)13-8-14-22(19(2)31-15-20-10-4-3-5-11-20)30-17-29-23-24(26)27-16-28-25(23)30/h3-7,9-12,16-17,19,22H,8,13-15H2,1-2H3,(H2,26,27,28)/t19-,22+/m0/s1