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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C21H16N2O3S2/c24-20-19-15(13-4-2-1-3-5-13)11-28-21(19)23-18(22-20)12-27-14-6-7-16-17(10-14)26-9-8-25-16/h1-7,10-11H,8-9,12H2,(H,22,23,24)