8-(2-methoxy-4-methyl-3-sulfanyl-phenyl)purin-6-one

Systemtic Name: 8-(2-methoxy-4-methyl-3-sulfanyl-phenyl)purin-6-one Openeye Name: 8-(2-methoxy-4-methyl-3-sulfanyl-phenyl)purin-6-one CAS Name: 8-(3-mercapto-2-methoxy-4-methylphenyl)-6-purinone IUPAC Name: 8-(2-methoxy-4-methyl-3-sulfanylphenyl)purin-6-one Traditional Name: 8-(3-mercapto-2-methoxy-4-methyl-phenyl)purin-6-one Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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