8-(2-methoxy-5-methyl-3-sulfanyl-phenyl)purin-6-one

Systemtic Name: 8-(2-methoxy-5-methyl-3-sulfanyl-phenyl)purin-6-one Openeye Name: 8-(2-methoxy-5-methyl-3-sulfanyl-phenyl)purin-6-one CAS Name: 8-(3-mercapto-2-methoxy-5-methylphenyl)-6-purinone IUPAC Name: 8-(2-methoxy-5-methyl-3-sulfanylphenyl)purin-6-one Traditional Name: 8-(3-mercapto-2-methoxy-5-methyl-phenyl)purin-6-one Formula: C13H10N4O2S MolecularWeight: 286.3091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=NC3=NC=NC(=O)C3=N2)OC)S

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=NC3=NC=NC(=O)C3=N2)OC)S

InChI

InChI=1S/C13H10N4O2S/c1-6-3-7(10(19-2)8(20)4-6)11-16-9-12(17-11)14-5-15-13(9)18/h3-5,20H,1-2H3