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

Systemtic Name: 2-[6-azanyl-2-[4-(1-oxidanylcycloheptyl)but-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[4-(1-hydroxycycloheptyl)but-1-ynyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[4-(1-hydroxycycloheptyl)but-1-ynyl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[4-(1-hydroxycycloheptyl)but-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[4-(1-hydroxycycloheptyl)but-1-ynyl]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O5/c22-18-15-19(26(12-23-15)20-17(29)16(28)13(11-27)31-20)25-14(24-18)7-3-6-10-21(30)8-4-1-2-5-9-21/h12-13,16-17,20,27-30H,1-2,4-6,8-11H2,(H2,22,24,25)