2-[[methyl-(phenylmethyl)amino]methyl]-9-oxidanyl-4H-thieno[2,3-c]isoquinolin-5-one

Systemtic Name: 2-[[methyl-(phenylmethyl)amino]methyl]-9-oxidanyl-4H-thieno[2,3-c]isoquinolin-5-one Openeye Name: 2-[[benzyl(methyl)amino]methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one CAS Name: 9-hydroxy-2-[[methyl-(phenylmethyl)amino]methyl]-4H-thieno[2,3-c]isoquinolin-5-one IUPAC Name: 2-[[benzyl(methyl)amino]methyl]-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one Traditional Name: 2-[[benzyl(methyl)amino]methyl]-9-hydroxy-4H-thien[2,3-c]isoquinolin-5-one Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=CC3=C(S2)NC(=O)C4=C3C(=CC=C4)O

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=CC3=C(S2)NC(=O)C4=C3C(=CC=C4)O

InChI

InChI=1S/C20H18N2O2S/c1-22(11-13-6-3-2-4-7-13)12-14-10-16-18-15(8-5-9-17(18)23)19(24)21-20(16)25-14/h2-10,23H,11-12H2,1H3,(H,21,24)