2-(hydroxymethyl)-4-methoxy-5-[6-[(6-thiophen-2-ylcyclohex-3-en-1-yl)amino]purin-9-yl]oxolan-3-ol

Systemtic Name: 2-(hydroxymethyl)-4-methoxy-5-[6-[(6-thiophen-2-ylcyclohex-3-en-1-yl)amino]purin-9-yl]oxolan-3-ol Openeye Name: 2-(hydroxymethyl)-4-methoxy-5-[6-[[6-(2-thienyl)cyclohex-3-en-1-yl]amino]purin-9-yl]tetrahydrofuran-3-ol CAS Name: 2-(hydroxymethyl)-4-methoxy-5-[6-[(6-thiophen-2-yl-1-cyclohex-3-enyl)amino]-9-purinyl]-3-oxolanol IUPAC Name: 2-(hydroxymethyl)-4-methoxy-5-[6-[(6-thiophen-2-ylcyclohex-3-en-1-yl)amino]purin-9-yl]oxolan-3-ol Traditional Name: 4-methoxy-2-methylol-5-[6-[[6-(2-thienyl)cyclohex-3-en-1-yl]amino]purin-9-yl]tetrahydrofuran-3-ol Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=CN=C3NC4CC=CCC4C5=CC=CS5)CO)O

Isomeric SMILES

COC1C(C(OC1N2C=NC3=C2N=CN=C3NC4CC=CCC4C5=CC=CS5)CO)O

InChI

InChI=1S/C21H25N5O4S/c1-29-18-17(28)14(9-27)30-21(18)26-11-24-16-19(22-10-23-20(16)26)25-13-6-3-2-5-12(13)15-7-4-8-31-15/h2-4,7-8,10-14,17-18,21,27-28H,5-6,9H2,1H3,(H,22,23,25)