2-[6-azanyl-2-[5-(1-oxidanylcycloheptyl)pent-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[5-(1-oxidanylcycloheptyl)pent-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[5-(1-hydroxycycloheptyl)pent-1-ynyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[5-(1-hydroxycycloheptyl)pent-1-ynyl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[5-(1-hydroxycycloheptyl)pent-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[5-(1-hydroxycycloheptyl)pent-1-ynyl]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CCCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1CCCC(CC1)(CCCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C22H31N5O5/c23-19-16-20(27(13-24-16)21-18(30)17(29)14(12-28)32-21)26-15(25-19)8-4-3-7-11-22(31)9-5-1-2-6-10-22/h13-14,17-18,21,28-31H,1-3,5-7,9-12H2,(H2,23,25,26)