2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=CC5=C(C=C4)OCCO5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=CC5=C(C=C4)OCCO5)C

InChI

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