6-(4-cyclohexylpiperazin-1-yl)-2-(8-fluoranyl-2-methyl-quinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

Systemtic Name: 6-(4-cyclohexylpiperazin-1-yl)-2-(8-fluoranyl-2-methyl-quinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Openeye Name: 6-(4-cyclohexylpiperazin-1-yl)-2-[(8-fluoro-2-methyl-6-quinolyl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine CAS Name: 6-(4-cyclohexyl-1-piperazinyl)-2-[(8-fluoro-2-methyl-6-quinolinyl)thio]-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine IUPAC Name: 6-(4-cyclohexylpiperazin-1-yl)-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Traditional Name: [6-(4-cyclohexylpiperazino)-2-[(8-fluoro-2-methyl-6-quinolyl)thio]pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C28H33FN8S MolecularWeight: 532.678623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2C=C1)SC3=NC(=CC(=N3)NC4=NNC(=C4)C)N5CCN(CC5)C6CCCCC6)F

Isomeric SMILES

CC1=NC2=C(C=C(C=C2C=C1)SC3=NC(=CC(=N3)NC4=NNC(=C4)C)N5CCN(CC5)C6CCCCC6)F

InChI

InChI=1S/C28H33FN8S/c1-18-8-9-20-15-22(16-23(29)27(20)30-18)38-28-32-24(31-25-14-19(2)34-35-25)17-26(33-28)37-12-10-36(11-13-37)21-6-4-3-5-7-21/h8-9,14-17,21H,3-7,10-13H2,1-2H3,(H2,31,32,33,34,35)