2-[6-azanyl-2-[(6-methoxy-3,4-dihydro-2H-thiochromen-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[(6-methoxy-3,4-dihydro-2H-thiochromen-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[(6-methoxythiochroman-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[(6-methoxy-3,4-dihydro-2H-1-benzothiopyran-3-yl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[(6-methoxy-3,4-dihydro-2H-thiochromen-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[(6-methoxythiochroman-3-yl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H24N6O5S MolecularWeight: 460.50676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCC(C2)NC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)SCC(C2)NC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C20H24N6O5S/c1-30-11-2-3-13-9(5-11)4-10(7-32-13)23-20-24-17(21)14-18(25-20)26(8-22-14)19-16(29)15(28)12(6-27)31-19/h2-3,5,8,10,12,15-16,19,27-29H,4,6-7H2,1H3,(H3,21,23,24,25)