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

Systemtic Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(2S)-2-hydroxy-3-piperonyloxy-propyl]thieno[2,3-d]pyrimidin-4-one Formula: C17H16N2O5S MolecularWeight: 360.38434

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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)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC[C@H](CN3C=NC4=C(C3=O)C=CS4)O

InChI

InChI=1S/C17H16N2O5S/c20-12(6-19-9-18-16-13(17(19)21)3-4-25-16)8-22-7-11-1-2-14-15(5-11)24-10-23-14/h1-5,9,12,20H,6-8,10H2/t12-/m0/s1