5-(6-aminopurin-9-yl)-2-(3,4-dihydro-2H-thiochromen-4-yloxymethyl)-4-methoxy-oxolan-3-ol

Systemtic Name: 5-(6-aminopurin-9-yl)-2-(3,4-dihydro-2H-thiochromen-4-yloxymethyl)-4-methoxy-oxolan-3-ol Openeye Name: 5-(6-aminopurin-9-yl)-4-methoxy-2-(thiochroman-4-yloxymethyl)tetrahydrofuran-3-ol CAS Name: 5-(6-aminopurin-9-yl)-2-(3,4-dihydro-2H-1-benzothiopyran-4-yloxymethyl)-4-methoxy-3-oxolanol IUPAC Name: 5-(6-aminopurin-9-yl)-2-(3,4-dihydro-2H-thiochromen-4-yloxymethyl)-4-methoxyoxolan-3-ol Traditional Name: 5-adenin-9-yl-4-methoxy-2-(thiochroman-4-yloxymethyl)tetrahydrofuran-3-ol Formula: C20H23N5O4S MolecularWeight: 429.49272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)COC4CCSC5=CC=CC=C45)O

Isomeric SMILES

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)COC4CCSC5=CC=CC=C45)O

InChI

InChI=1S/C20H23N5O4S/c1-27-17-16(26)13(8-28-12-6-7-30-14-5-3-2-4-11(12)14)29-20(17)25-10-24-15-18(21)22-9-23-19(15)25/h2-5,9-10,12-13,16-17,20,26H,6-8H2,1H3,(H2,21,22,23)