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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-pyridylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-pyridinylmethylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(pyridin-3-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-piperonyl-2-(3-pyridylmethylthio)thieno[3,2-d]pyrimidin-4-one Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC5=CN=CC=C5

InChI

InChI=1S/C20H15N3O3S2/c24-19-18-15(5-7-27-18)22-20(28-11-14-2-1-6-21-9-14)23(19)10-13-3-4-16-17(8-13)26-12-25-16/h1-9H,10-12H2