2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[methyl(piperonyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H19N3O3S/c1-25(10-14-7-8-17-18(9-14)28-13-27-17)11-19-23-21(26)20-16(12-29-22(20)24-19)15-5-3-2-4-6-15/h2-9,12H,10-11,13H2,1H3,(H,23,24,26)