3-(4-methylpiperazin-1-yl)-5-methylsulfanyl-2H-isoquinolin-1-one

Systemtic Name: 3-(4-methylpiperazin-1-yl)-5-methylsulfanyl-2H-isoquinolin-1-one Openeye Name: 3-(4-methylpiperazin-1-yl)-5-methylsulfanyl-2H-isoquinolin-1-one CAS Name: 3-(4-methyl-1-piperazinyl)-5-(methylthio)-2H-isoquinolin-1-one IUPAC Name: 3-(4-methylpiperazin-1-yl)-5-methylsulfanyl-2H-isoquinolin-1-one Traditional Name: 3-(4-methylpiperazino)-5-(methylthio)isocarbostyril Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=CC=C3SC)C(=O)N2

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=CC=C3SC)C(=O)N2

InChI

InChI=1S/C15H19N3OS/c1-17-6-8-18(9-7-17)14-10-12-11(15(19)16-14)4-3-5-13(12)20-2/h3-5,10H,6-9H2,1-2H3,(H,16,19)