6-(hydroxymethyl)-2-(phenylmethylsulfanyl)-1H-pteridin-4-one

Systemtic Name: 6-(hydroxymethyl)-2-(phenylmethylsulfanyl)-1H-pteridin-4-one Openeye Name: 2-benzylsulfanyl-6-(hydroxymethyl)-1H-pteridin-4-one CAS Name: 6-(hydroxymethyl)-2-(phenylmethylthio)-1H-pteridin-4-one IUPAC Name: 2-benzylsulfanyl-6-(hydroxymethyl)-1H-pteridin-4-one Traditional Name: 2-(benzylthio)-6-methylol-1H-pteridin-4-one Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C3=NC(=CN=C3N2)CO

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C3=NC(=CN=C3N2)CO

InChI

InChI=1S/C14H12N4O2S/c19-7-10-6-15-12-11(16-10)13(20)18-14(17-12)21-8-9-4-2-1-3-5-9/h1-6,19H,7-8H2,(H,15,17,18,20)