3-butyl-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-butyl-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-butyl-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-butyl-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-butyl-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-butyl-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H21ClN2O3S2 MolecularWeight: 436.97534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC3=CC4=C(C(=C3)Cl)OCO4)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC3=CC4=C(C(=C3)Cl)OCO4)SC(=C2C)C

InChI

InChI=1S/C20H21ClN2O3S2/c1-4-5-6-23-19(24)16-11(2)12(3)28-18(16)22-20(23)27-9-13-7-14(21)17-15(8-13)25-10-26-17/h7-8H,4-6,9-10H2,1-3H3