2-[6-(cyclopentylamino)purin-9-yl]-5-[2-(4-methylpiperazin-1-yl)ethynyl]oxolane-3,4-diol

Systemtic Name: 2-[6-(cyclopentylamino)purin-9-yl]-5-[2-(4-methylpiperazin-1-yl)ethynyl]oxolane-3,4-diol Openeye Name: 2-[6-(cyclopentylamino)purin-9-yl]-5-[2-(4-methylpiperazin-1-yl)ethynyl]tetrahydrofuran-3,4-diol CAS Name: 2-[6-(cyclopentylamino)-9-purinyl]-5-[2-(4-methyl-1-piperazinyl)ethynyl]oxolane-3,4-diol IUPAC Name: 2-[6-(cyclopentylamino)purin-9-yl]-5-[2-(4-methylpiperazin-1-yl)ethynyl]oxolane-3,4-diol Traditional Name: 2-[6-(cyclopentylamino)purin-9-yl]-5-[2-(4-methylpiperazino)ethynyl]tetrahydrofuran-3,4-diol Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C#CC2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCCC5)O)O

Isomeric SMILES

CN1CCN(CC1)C#CC2C(C(C(O2)N3C=NC4=C3N=CN=C4NC5CCCC5)O)O

InChI

InChI=1S/C21H29N7O3/c1-26-8-10-27(11-9-26)7-6-15-17(29)18(30)21(31-15)28-13-24-16-19(22-12-23-20(16)28)25-14-4-2-3-5-14/h12-15,17-18,21,29-30H,2-5,8-11H2,1H3,(H,22,23,25)