2-[6-azanyl-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-5-(phenylmethoxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-5-(phenylmethoxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-5-(benzyloxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]-5-(phenylmethoxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-5-(phenylmethoxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-5-(benzoxymethyl)tetrahydrofuran-3,4-diol Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)COCC5=CC=CC=C5)O)O)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)COCC5=CC=CC=C5)O)O)O

InChI

InChI=1S/C25H29N5O5/c26-22-19-23(29-18(28-22)9-12-25(33)10-5-2-6-11-25)30(15-27-19)24-21(32)20(31)17(35-24)14-34-13-16-7-3-1-4-8-16/h1,3-4,7-8,15,17,20-21,24,31-33H,2,5-6,10-11,13-14H2,(H2,26,28,29)