9-[(2S,3R)-2-phenylmethoxynon-5-yn-3-yl]purin-6-amine

Systemtic Name: 9-[(2S,3R)-2-phenylmethoxynon-5-yn-3-yl]purin-6-amine Openeye Name: 9-[(1R)-1-[(1S)-1-benzyloxyethyl]hept-3-ynyl]purin-6-amine CAS Name: 9-[(2S,3R)-2-phenylmethoxynon-5-yn-3-yl]-6-purinamine IUPAC Name: 9-[(2S,3R)-2-phenylmethoxynon-5-yn-3-yl]purin-6-amine Traditional Name: [9-[(1R)-1-[(1S)-1-benzoxyethyl]hept-3-ynyl]purin-6-yl]amine Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCC(C(C)OCC1=CC=CC=C1)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

CCCC#CC[C@H]([C@H](C)OCC1=CC=CC=C1)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C21H25N5O/c1-3-4-5-9-12-18(16(2)27-13-17-10-7-6-8-11-17)26-15-25-19-20(22)23-14-24-21(19)26/h6-8,10-11,14-16,18H,3-4,12-13H2,1-2H3,(H2,22,23,24)/t16-,18+/m0/s1