2-(hydroxymethyl)-5-[6-[(2-thiophen-2-ylcyclohexyl)amino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(2-thiophen-2-ylcyclohexyl)amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[[2-(2-thienyl)cyclohexyl]amino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(2-thiophen-2-ylcyclohexyl)amino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[(2-thiophen-2-ylcyclohexyl)amino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-[[2-(2-thienyl)cyclohexyl]amino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=CS2)NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1CCC(C(C1)C2=CC=CS2)NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C20H25N5O4S/c26-8-13-16(27)17(28)20(29-13)25-10-23-15-18(21-9-22-19(15)25)24-12-5-2-1-4-11(12)14-6-3-7-30-14/h3,6-7,9-13,16-17,20,26-28H,1-2,4-5,8H2,(H,21,22,24)