2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylmethylthio)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-[(piperonylthio)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H20N2O3S2 MolecularWeight: 436.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H20N2O3S2/c1-13-3-6-16(7-4-13)20-14(2)30-23-21(20)22(26)24-19(25-23)11-29-10-15-5-8-17-18(9-15)28-12-27-17/h3-9H,10-12H2,1-2H3,(H,24,25,26)