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

Systemtic Name: 8-(2-methoxy-4-methyl-3-sulfanyl-phenyl)purin-2-one hydrochloride Openeye Name: 8-(2-methoxy-4-methyl-3-sulfanyl-phenyl)purin-2-one hydrochloride CAS Name: 8-(3-mercapto-2-methoxy-4-methylphenyl)-2-purinone hydrochloride IUPAC Name: 8-(2-methoxy-4-methyl-3-sulfanylphenyl)purin-2-one hydrochloride Traditional Name: 8-(3-mercapto-2-methoxy-4-methyl-phenyl)purin-2-one hydrochloride Formula: C13H11ClN4O2S MolecularWeight: 322.77004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=NC3=NC(=O)N=CC3=N2)OC)S.Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=NC3=NC(=O)N=CC3=N2)OC)S.Cl

InChI

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