N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methanamine

Systemtic Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropoxy)-7-methylsulfanyl-quinolin-3-yl]methanamine Openeye Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-isobutoxy-7-methylsulfanyl-3-quinolyl)methanamine CAS Name: N-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-[2-(2-methylpropoxy)-7-(methylthio)-3-quinolinyl]methanamine IUPAC Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methanamine Traditional Name: (1,5-dimethylpyrazol-4-yl)methyl-[[2-isobutoxy-7-(methylthio)-3-quinolyl]methyl]amine Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNCC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

Isomeric SMILES

CC1=C(C=NN1C)CNCC2=C(N=C3C=C(C=CC3=C2)SC)OCC(C)C

InChI

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