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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(1,3-benzodioxol-5-ylmethyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-piperonyl-thieno[3,2-d]pyrimidin-4-one Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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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=NC6=CC=CC=C6N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C22H16N4O3S2/c27-21-20-16(7-8-30-20)25-22(31-11-19-23-14-3-1-2-4-15(14)24-19)26(21)10-13-5-6-17-18(9-13)29-12-28-17/h1-9H,10-12H2,(H,23,24)