2-[6-azanyl-2-(2-methylphenyl)sulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-(2-methylphenyl)sulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(o-tolylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[(2-methylphenyl)thio]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(2-methylphenyl)sulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(o-tolylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H19N5O4S MolecularWeight: 389.42886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CC1=CC=CC=C1SC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C17H19N5O4S/c1-8-4-2-3-5-10(8)27-17-20-14(18)11-15(21-17)22(7-19-11)16-13(25)12(24)9(6-23)26-16/h2-5,7,9,12-13,16,23-25H,6H2,1H3,(H2,18,20,21)