3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-hydroxy-3-piperonyloxy-propyl)-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(COCC3=CC4=C(C=C3)OCO4)O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(COCC3=CC4=C(C=C3)OCO4)O)C5=CC=CC=C5

InChI

InChI=1S/C24H22N2O5S/c1-15-21-23(32-22(15)17-5-3-2-4-6-17)25-13-26(24(21)28)10-18(27)12-29-11-16-7-8-19-20(9-16)31-14-30-19/h2-9,13,18,27H,10-12,14H2,1H3