2-[5-methyl-4-[2-[(2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-1-phenyl-pyrazol-3-yl]sulfanylethanenitrile

Systemtic Name: 2-[5-methyl-4-[2-[(2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-1-phenyl-pyrazol-3-yl]sulfanylethanenitrile Openeye Name: 2-[5-methyl-4-[2-[(2-methyl-6-quinolyl)amino]pyrimidin-4-yl]-1-phenyl-pyrazol-3-yl]sulfanylacetonitrile CAS Name: 2-[[5-methyl-4-[2-[(2-methyl-6-quinolinyl)amino]-4-pyrimidinyl]-1-phenyl-3-pyrazolyl]thio]acetonitrile IUPAC Name: 2-[5-methyl-4-[2-[(2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-1-phenylpyrazol-3-yl]sulfanylacetonitrile Traditional Name: 2-[[5-methyl-4-[2-[(2-methyl-6-quinolyl)amino]pyrimidin-4-yl]-1-phenyl-pyrazol-3-yl]thio]acetonitrile Formula: C26H21N7S MolecularWeight: 463.55684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC3=NC=CC(=N3)C4=C(N(N=C4SCC#N)C5=CC=CC=C5)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC3=NC=CC(=N3)C4=C(N(N=C4SCC#N)C5=CC=CC=C5)C

InChI

InChI=1S/C26H21N7S/c1-17-8-9-19-16-20(10-11-22(19)29-17)30-26-28-14-12-23(31-26)24-18(2)33(21-6-4-3-5-7-21)32-25(24)34-15-13-27/h3-12,14,16H,15H2,1-2H3,(H,28,30,31)