2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C17H13ClN2O3S2 MolecularWeight: 392.87972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C(=C3)Cl)OCO4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C(=C3)Cl)OCO4)SC=C2

InChI

InChI=1S/C17H13ClN2O3S2/c1-2-4-20-16(21)11-3-5-24-15(11)19-17(20)25-8-10-6-12(18)14-13(7-10)22-9-23-14/h2-3,5-7H,1,4,8-9H2