2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)methylthio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)methylthio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C15H11ClN2O3S2 MolecularWeight: 366.84244

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSCC3=NC(=O)C4=C(N3)C=CS4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSCC3=NC(=O)C4=C(N3)C=CS4)Cl

InChI

InChI=1S/C15H11ClN2O3S2/c16-9-3-8(4-11-13(9)21-7-20-11)5-22-6-12-17-10-1-2-23-14(10)15(19)18-12/h1-4H,5-7H2,(H,17,18,19)