5-(6-aminopurin-9-yl)-4-methoxy-2-[(6-thiophen-2-ylcyclohex-3-en-1-yl)oxymethyl]oxolan-3-ol

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)COC4CC=CCC4C5=CC=CS5)O

Isomeric SMILES

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)COC4CC=CCC4C5=CC=CS5)O

InChI

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