3-(hydroxymethyl)-5-[6-(pyrrolidin-3-ylamino)purin-9-yl]cyclopentane-1,2-diol dihydrochloride

Systemtic Name: 3-(hydroxymethyl)-5-[6-(pyrrolidin-3-ylamino)purin-9-yl]cyclopentane-1,2-diol dihydrochloride Openeye Name: 3-(hydroxymethyl)-5-[6-(pyrrolidin-3-ylamino)purin-9-yl]cyclopentane-1,2-diol dihydrochloride CAS Name: 3-(hydroxymethyl)-5-[6-(3-pyrrolidinylamino)-9-purinyl]cyclopentane-1,2-diol dihydrochloride IUPAC Name: 3-(hydroxymethyl)-5-[6-(pyrrolidin-3-ylamino)purin-9-yl]cyclopentane-1,2-diol dihydrochloride Traditional Name: 3-methylol-5-[6-(pyrrolidin-3-ylamino)purin-9-yl]cyclopentane-1,2-diol dihydrochloride Formula: C15H24Cl2N6O3 MolecularWeight: 407.29546

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1NC2=NC=NC3=C2N=CN3C4CC(C(C4O)O)CO.Cl.Cl

Isomeric SMILES

C1CNCC1NC2=NC=NC3=C2N=CN3C4CC(C(C4O)O)CO.Cl.Cl

InChI

InChI=1S/C15H22N6O3.2ClH/c22-5-8-3-10(13(24)12(8)23)21-7-19-11-14(17-6-18-15(11)21)20-9-1-2-16-4-9;;/h6-10,12-13,16,22-24H,1-5H2,(H,17,18,20);2*1H