2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5,6-dimethyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-3-phenyl-2-(piperonylthio)thieno[2,3-d]pyrimidin-4-one Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

InChI

InChI=1S/C22H18N2O3S2/c1-13-14(2)29-20-19(13)21(25)24(16-6-4-3-5-7-16)22(23-20)28-11-15-8-9-17-18(10-15)27-12-26-17/h3-10H,11-12H2,1-2H3