2-methyl-N-[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]quinolin-6-amine

Systemtic Name: 2-methyl-N-[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]quinolin-6-amine Openeye Name: 2-methyl-N-[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]quinolin-6-amine CAS Name: 2-methyl-N-[4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]-6-quinolinamine IUPAC Name: 2-methyl-N-[4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinolin-6-amine Traditional Name: [4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-(2-methyl-6-quinolyl)amine Formula: C25H22N6S MolecularWeight: 438.54738

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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=C4SC)C5=CC=CC=C5)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC3=NC=CC(=N3)C4=C(N(N=C4SC)C5=CC=CC=C5)C

InChI

InChI=1S/C25H22N6S/c1-16-9-10-18-15-19(11-12-21(18)27-16)28-25-26-14-13-22(29-25)23-17(2)31(30-24(23)32-3)20-7-5-4-6-8-20/h4-15H,1-3H3,(H,26,28,29)