3-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-3-piperonyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H13FN2O3S MolecularWeight: 380.392223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13FN2O3S/c21-14-4-2-13(3-5-14)15-9-27-19-18(15)20(24)23(10-22-19)8-12-1-6-16-17(7-12)26-11-25-16/h1-7,9-10H,8,11H2