8-(2-methoxy-5-methylsulfonyl-phenyl)purin-6-one

Systemtic Name: 8-(2-methoxy-5-methylsulfonyl-phenyl)purin-6-one Openeye Name: 8-(2-methoxy-5-methylsulfonyl-phenyl)purin-6-one CAS Name: 8-(2-methoxy-5-methylsulfonylphenyl)-6-purinone IUPAC Name: 8-(2-methoxy-5-methylsulfonylphenyl)purin-6-one Traditional Name: 8-(5-mesyl-2-methoxy-phenyl)purin-6-one Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC3=NC=NC(=O)C3=N2

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC3=NC=NC(=O)C3=N2

InChI

InChI=1S/C13H10N4O4S/c1-21-9-4-3-7(22(2,19)20)5-8(9)11-16-10-12(17-11)14-6-15-13(10)18/h3-6H,1-2H3