3-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxidanylidenepropylsulfanyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxidanylidenepropylsulfanyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-acetonylsulfanyl-3-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxopropylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxopropylsulfanyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(acetonylthio)-3-piperonyl-thieno[3,2-d]pyrimidin-4-one Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

Isomeric SMILES

CC(=O)CSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

InChI

InChI=1S/C17H14N2O4S2/c1-10(20)8-25-17-18-12-4-5-24-15(12)16(21)19(17)7-11-2-3-13-14(6-11)23-9-22-13/h2-6H,7-9H2,1H3