2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylmethylthio)methyl]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(piperonylthio)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N2O3S2 MolecularWeight: 422.51992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N2O3S2/c1-13-2-5-15(6-3-13)16-10-29-22-20(16)21(25)23-19(24-22)11-28-9-14-4-7-17-18(8-14)27-12-26-17/h2-8,10H,9,11-12H2,1H3,(H,23,24,25)