2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-3-(2-methylphenyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-3-(2-methylphenyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-3-(o-tolyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-3-(2-methylphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-3-(2-methylphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-3-(o-tolyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C28H22N2O3S2 MolecularWeight: 498.61588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC4COC5=CC=CC=C5O4)SC(=C3)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC4COC5=CC=CC=C5O4)SC(=C3)C6=CC=CC=C6

InChI

InChI=1S/C28H22N2O3S2/c1-18-9-5-6-12-22(18)30-27(31)21-15-25(19-10-3-2-4-11-19)35-26(21)29-28(30)34-17-20-16-32-23-13-7-8-14-24(23)33-20/h2-15,20H,16-17H2,1H3