(3R,4S,5R)-2-(6-azanyl-2-phenylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: (3R,4S,5R)-2-(6-azanyl-2-phenylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (3R,4S,5R)-2-(6-amino-2-phenylsulfanyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (3R,4S,5R)-2-[6-amino-2-(phenylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (3R,4S,5R)-2-(6-amino-2-phenylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (3R,4S,5R)-2-[6-amino-2-(phenylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H17N5O4S MolecularWeight: 375.40228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC3=C(C(=N2)N)N=CN3C4[C@@H]([C@@H]([C@H](O4)CO)O)O

InChI

InChI=1S/C16H17N5O4S/c17-13-10-14(20-16(19-13)26-8-4-2-1-3-5-8)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h1-5,7,9,11-12,15,22-24H,6H2,(H2,17,19,20)/t9-,11-,12-,15?/m1/s1