5-[2-azanyl-6-(phenylmethylsulfanyl)purin-9-yl]-4-fluoranyl-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: 5-[2-azanyl-6-(phenylmethylsulfanyl)purin-9-yl]-4-fluoranyl-2-(hydroxymethyl)oxolan-3-ol Openeye Name: 5-(2-amino-6-benzylsulfanyl-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: 5-[2-amino-6-(phenylmethylthio)-9-purinyl]-4-fluoro-2-(hydroxymethyl)-3-oxolanol IUPAC Name: 5-(2-amino-6-benzylsulfanylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol Traditional Name: 5-[2-amino-6-(benzylthio)purin-9-yl]-4-fluoro-2-methylol-tetrahydrofuran-3-ol Formula: C17H18FN5O3S MolecularWeight: 391.419923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)F)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)F)N

InChI

InChI=1S/C17H18FN5O3S/c18-11-13(25)10(6-24)26-16(11)23-8-20-12-14(23)21-17(19)22-15(12)27-7-9-4-2-1-3-5-9/h1-5,8,10-11,13,16,24-25H,6-7H2,(H2,19,21,22)