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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]thio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-hydroxy-3-piperonyloxy-propyl)thio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H20N2O5S2 MolecularWeight: 468.5453

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC(CSC3=NC4=C(C=CS4)C(=O)N3C5=CC=CC=C5)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCC(CSC3=NC4=C(C=CS4)C(=O)N3C5=CC=CC=C5)O

InChI

InChI=1S/C23H20N2O5S2/c26-17(12-28-11-15-6-7-19-20(10-15)30-14-29-19)13-32-23-24-21-18(8-9-31-21)22(27)25(23)16-4-2-1-3-5-16/h1-10,17,26H,11-14H2