N-[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]isoquinolin-4-amine

Systemtic Name: N-[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]isoquinolin-4-amine Openeye Name: N-[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]isoquinolin-4-amine CAS Name: N-[4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]-4-isoquinolinamine IUPAC Name: N-[4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]isoquinolin-4-amine Traditional Name: 4-isoquinolyl-[4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amine Formula: C24H20N6S MolecularWeight: 424.5208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CN=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C24H20N6S/c1-16-22(23(31-2)29-30(16)18-9-4-3-5-10-18)20-12-13-26-24(27-20)28-21-15-25-14-17-8-6-7-11-19(17)21/h3-15H,1-2H3,(H,26,27,28)