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

Systemtic Name: 2-(8-fluoranyl-2-methyl-quinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 2-[(8-fluoro-2-methyl-6-quinolyl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(4-piperidyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: 2-[(8-fluoro-2-methyl-6-quinolinyl)thio]-N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(4-piperidinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [2-[(8-fluoro-2-methyl-6-quinolyl)thio]-6-[4-(4-piperidyl)piperazino]pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C27H32FN9S MolecularWeight: 533.666683

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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)C6CCNCC6)F

Isomeric SMILES

CC1=NC2=C(C=C(C=C2C=C1)SC3=NC(=CC(=N3)NC4=NNC(=C4)C)N5CCN(CC5)C6CCNCC6)F

InChI

InChI=1S/C27H32FN9S/c1-17-3-4-19-14-21(15-22(28)26(19)30-17)38-27-32-23(31-24-13-18(2)34-35-24)16-25(33-27)37-11-9-36(10-12-37)20-5-7-29-8-6-20/h3-4,13-16,20,29H,5-12H2,1-2H3,(H2,31,32,33,34,35)