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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dioxolan-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dioxolan-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dioxolan-2-ylmethylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dioxolan-2-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(1,3-dioxolan-2-ylmethylthio)-3-piperonyl-thieno[3,2-d]pyrimidin-4-one Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

Isomeric SMILES

C1COC(O1)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

InChI

InChI=1S/C18H16N2O5S2/c21-17-16-12(3-6-26-16)19-18(27-9-15-22-4-5-23-15)20(17)8-11-1-2-13-14(7-11)25-10-24-13/h1-3,6-7,15H,4-5,8-10H2