2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrothiophene-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-methylol-tetrahydrothiophene-3,4-diol Formula: C20H26N10O6S2 MolecularWeight: 566.61384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(S3)CO)O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(S3)CO)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(S3)CO)O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(S3)CO)O)O

InChI

InChI=1S/2C10H13N5O3S/c2*11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2*2-4,6-7,10,16-18H,1H2,(H2,11,12,13)