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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(phenacylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-phenacylsulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(phenacylthio)-3-piperonyl-thieno[3,2-d]pyrimidin-4-one Formula: C22H16N2O4S2 MolecularWeight: 436.50344

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H16N2O4S2/c25-17(15-4-2-1-3-5-15)12-30-22-23-16-8-9-29-20(16)21(26)24(22)11-14-6-7-18-19(10-14)28-13-27-18/h1-10H,11-13H2