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

Systemtic Name: 2-[6-azanyl-2-[4-(1-oxidanylcyclohexyl)but-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[4-(1-hydroxycyclohexyl)but-1-ynyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[4-(1-hydroxycyclohexyl)but-1-ynyl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[4-(1-hydroxycyclohexyl)but-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[4-(1-hydroxycyclohexyl)but-1-ynyl]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1CCC(CC1)(CCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C20H27N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)12(10-26)30-19)24-13(23-17)6-2-5-9-20(29)7-3-1-4-8-20/h11-12,15-16,19,26-29H,1,3-5,7-10H2,(H2,21,23,24)