8-azanyl-2-(2-methylsulfonylphenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(2-methylsulfonylphenyl)purin-6-one Openeye Name: 8-amino-2-(2-methylsulfonylphenyl)purin-6-one CAS Name: 8-amino-2-(2-methylsulfonylphenyl)-6-purinone IUPAC Name: 8-amino-2-(2-methylsulfonylphenyl)purin-6-one Traditional Name: 8-amino-2-(2-mesylphenyl)purin-6-one Formula: C12H9N5O3S MolecularWeight: 303.29656

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C12H9N5O3S/c1-21(19,20)7-5-3-2-4-6(7)9-15-10-8(11(18)16-9)14-12(13)17-10/h2-5H,1H3,(H2,13,15,16,17,18)