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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H14N2O4S/c24-16(14-6-7-17-18(8-14)27-12-26-17)9-23-11-22-20-19(21(23)25)15(10-28-20)13-4-2-1-3-5-13/h1-8,10-11H,9,12H2