3-(4-methylsulfonylphenyl)-4H-[1,2]oxazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-(4-methylsulfonylphenyl)-4H-[1,2]oxazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(4-methylsulfonylphenyl)-4H-isoxazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(4-methylsulfonylphenyl)-4H-isoxazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-(4-methylsulfonylphenyl)-4H-[1,2]oxazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-mesylphenyl)-4H-isoxazolo[4,5-d]pyrimidin-7-one Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NOC3=C2NC=NC3=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NOC3=C2NC=NC3=O

InChI

InChI=1S/C12H9N3O4S/c1-20(17,18)8-4-2-7(3-5-8)9-10-11(19-15-9)12(16)14-6-13-10/h2-6H,1H3,(H,13,14,16)