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

Systemtic Name: 9-[(2R,3S)-3-phenylmethoxy-1-(2-propylphenyl)butan-2-yl]purin-6-amine Openeye Name: 9-[(1R,2S)-2-benzyloxy-1-[(2-propylphenyl)methyl]propyl]purin-6-amine CAS Name: 9-[(2R,3S)-3-phenylmethoxy-1-(2-propylphenyl)butan-2-yl]-6-purinamine IUPAC Name: 9-[(2R,3S)-3-phenylmethoxy-1-(2-propylphenyl)butan-2-yl]purin-6-amine Traditional Name: [9-[(1R,2S)-2-benzoxy-1-(2-propylbenzyl)propyl]purin-6-yl]amine Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1CC(C(C)OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

CCCC1=CC=CC=C1C[C@H]([C@H](C)OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C25H29N5O/c1-3-9-20-12-7-8-13-21(20)14-22(18(2)31-15-19-10-5-4-6-11-19)30-17-29-23-24(26)27-16-28-25(23)30/h4-8,10-13,16-18,22H,3,9,14-15H2,1-2H3,(H2,26,27,28)/t18-,22+/m0/s1