9-[(2R,3S)-1-(3-ethylphenyl)-3-phenylmethoxy-butan-2-yl]purin-6-amine

Systemtic Name: 9-[(2R,3S)-1-(3-ethylphenyl)-3-phenylmethoxy-butan-2-yl]purin-6-amine Openeye Name: 9-[(1R,2S)-2-benzyloxy-1-[(3-ethylphenyl)methyl]propyl]purin-6-amine CAS Name: 9-[(2R,3S)-1-(3-ethylphenyl)-3-phenylmethoxybutan-2-yl]-6-purinamine IUPAC Name: 9-[(2R,3S)-1-(3-ethylphenyl)-3-phenylmethoxybutan-2-yl]purin-6-amine Traditional Name: [9-[(1R,2S)-2-benzoxy-1-(3-ethylbenzyl)propyl]purin-6-yl]amine Formula: C24H27N5O MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CC(C(C)OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

CCC1=CC(=CC=C1)C[C@H]([C@H](C)OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C24H27N5O/c1-3-18-10-7-11-20(12-18)13-21(17(2)30-14-19-8-5-4-6-9-19)29-16-28-22-23(25)26-15-27-24(22)29/h4-12,15-17,21H,3,13-14H2,1-2H3,(H2,25,26,27)/t17-,21+/m0/s1