2-(dimethylaminomethyl)-9-oxidanyl-4H-thieno[2,3-c]isoquinolin-5-one hydrate

Systemtic Name: 2-(dimethylaminomethyl)-9-oxidanyl-4H-thieno[2,3-c]isoquinolin-5-one hydrate Openeye Name: 2-(dimethylaminomethyl)-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one hydrate CAS Name: 2-(dimethylaminomethyl)-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one hydrate IUPAC Name: 2-(dimethylaminomethyl)-9-hydroxy-4H-thieno[2,3-c]isoquinolin-5-one hydrate Traditional Name: 2-(dimethylaminomethyl)-9-hydroxy-4H-thien[2,3-c]isoquinolin-5-one hydrate Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC2=C(S1)NC(=O)C3=C2C(=CC=C3)O.O

Isomeric SMILES

CN(C)CC1=CC2=C(S1)NC(=O)C3=C2C(=CC=C3)O.O

InChI

InChI=1S/C14H14N2O2S.H2O/c1-16(2)7-8-6-10-12-9(4-3-5-11(12)17)13(18)15-14(10)19-8;/h3-6,17H,7H2,1-2H3,(H,15,18);1H2