3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H16N2O4S/c25-17(15-6-7-18-19(10-15)28-9-8-27-18)11-24-13-23-21-20(22(24)26)16(12-29-21)14-4-2-1-3-5-14/h1-7,10,12-13H,8-9,11H2