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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-benzylsulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(phenylmethylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-benzylsulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-piperonyl-thieno[3,2-d]pyrimidin-4-one Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O3S2/c24-20-19-16(8-9-27-19)22-21(28-12-14-4-2-1-3-5-14)23(20)11-15-6-7-17-18(10-15)26-13-25-17/h1-10H,11-13H2