3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-hydroxy-3-piperonyloxy-propyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5S/c26-17(11-28-10-15-6-7-19-20(8-15)30-14-29-19)9-25-13-24-22-21(23(25)27)18(12-31-22)16-4-2-1-3-5-16/h1-8,12-13,17,26H,9-11,14H2