9-[(2S,3R)-8-phenyl-2-phenylmethoxy-octan-3-yl]purin-6-amine

Systemtic Name: 9-[(2S,3R)-8-phenyl-2-phenylmethoxy-octan-3-yl]purin-6-amine Openeye Name: 9-[(1R)-1-[(1S)-1-benzyloxyethyl]-6-phenyl-hexyl]purin-6-amine CAS Name: 9-[(2S,3R)-8-phenyl-2-phenylmethoxyoctan-3-yl]-6-purinamine IUPAC Name: 9-[(2S,3R)-8-phenyl-2-phenylmethoxyoctan-3-yl]purin-6-amine Traditional Name: [9-[(1R)-1-[(1S)-1-benzoxyethyl]-6-phenyl-hexyl]purin-6-yl]amine Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCCC1=CC=CC=C1)N2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H]([C@@H](CCCCCC1=CC=CC=C1)N2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-20(32-17-22-14-8-3-9-15-22)23(16-10-4-7-13-21-11-5-2-6-12-21)31-19-30-24-25(27)28-18-29-26(24)31/h2-3,5-6,8-9,11-12,14-15,18-20,23H,4,7,10,13,16-17H2,1H3,(H2,27,28,29)/t20-,23+/m0/s1