2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-pyrimidin-6-one Formula: C12H9ClN2O3S MolecularWeight: 296.72946

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=CC(=O)N3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=CC(=O)N3)Cl

InChI

InChI=1S/C12H9ClN2O3S/c13-8-4-10-9(17-6-18-10)3-7(8)5-19-12-14-2-1-11(16)15-12/h1-4H,5-6H2,(H,14,15,16)