2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-(2-furanyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3)OC1

InChI

InChI=1S/C20H16N2O4S2/c23-19-18-13(14-3-1-6-24-14)10-28-20(18)22-17(21-19)11-27-12-4-5-15-16(9-12)26-8-2-7-25-15/h1,3-6,9-10H,2,7-8,11H2,(H,21,22,23)