3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-(2-methylpropyl)-7-methylsulfanyl-quinolin-2-one

Systemtic Name: 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-(2-methylpropyl)-7-methylsulfanyl-quinolin-2-one Openeye Name: 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-isobutyl-7-methylsulfanyl-quinolin-2-one CAS Name: 3-[[(1,5-dimethyl-4-pyrazolyl)methylamino]methyl]-1-(2-methylpropyl)-7-(methylthio)-2-quinolinone IUPAC Name: 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-(2-methylpropyl)-7-methylsulfanylquinolin-2-one Traditional Name: 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-isobutyl-7-(methylthio)carbostyril Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNCC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC(C)C

Isomeric SMILES

CC1=C(C=NN1C)CNCC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC(C)C

InChI

InChI=1S/C21H28N4OS/c1-14(2)13-25-20-9-19(27-5)7-6-16(20)8-17(21(25)26)10-22-11-18-12-23-24(4)15(18)3/h6-9,12,14,22H,10-11,13H2,1-5H3