(1R,2S,3R,5S)-3-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-5-pyrazol-1-yl-cyclopentane-1,2-diol

Systemtic Name: (1R,2S,3R,5S)-3-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-5-pyrazol-1-yl-cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5S)-3-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-pyrazol-1-yl-cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5S)-3-(6-amino-2-hex-1-ynyl-9-purinyl)-5-(1-pyrazolyl)cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5S)-3-(6-amino-2-hex-1-ynylpurin-9-yl)-5-pyrazol-1-ylcyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5S)-3-(6-amino-2-hex-1-ynyl-purin-9-yl)-5-pyrazol-1-yl-cyclopentane-1,2-diol Formula: C19H23N7O2 MolecularWeight: 381.43162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3CC(C(C3O)O)N4C=CC=N4

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)N4C=CC=N4

InChI

InChI=1S/C19H23N7O2/c1-2-3-4-5-7-14-23-18(20)15-19(24-14)25(11-21-15)12-10-13(17(28)16(12)27)26-9-6-8-22-26/h6,8-9,11-13,16-17,27-28H,2-4,10H2,1H3,(H2,20,23,24)/t12-,13+,16+,17-/m1/s1