5-(phenylsulfonyl)-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-(phenylsulfonyl)-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one Openeye Name: 5-(benzenesulfonyl)-2-isopropylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-(benzenesulfonyl)-2-(propan-2-ylthio)-1H-pyrimidin-6-one IUPAC Name: 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-besyl-2-(isopropylthio)-1H-pyrimidin-6-one Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)SC1=NC=C(C(=O)N1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3S2/c1-9(2)19-13-14-8-11(12(16)15-13)20(17,18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,15,16)