N-[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methylsulfanyl-purin-2-yl]ethanamide

Systemtic Name: N-[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methylsulfanyl-purin-2-yl]ethanamide Openeye Name: N-[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methylsulfanyl-purin-2-yl]acetamide CAS Name: N-[9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(methylthio)-2-purinyl]acetamide IUPAC Name: N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpurin-2-yl]acetamide Traditional Name: N-[9-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-6-(methylthio)purin-2-yl]acetamide Formula: C13H17N5O4S MolecularWeight: 339.37018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)SC)N=CN2C3CC(C(O3)CO)O

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)SC)N=CN2C3CC(C(O3)CO)O

InChI

InChI=1S/C13H17N5O4S/c1-6(20)15-13-16-11-10(12(17-13)23-2)14-5-18(11)9-3-7(21)8(4-19)22-9/h5,7-9,19,21H,3-4H2,1-2H3,(H,15,16,17,20)