6-(4-cyclopropylpiperazin-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-cyclopropylpiperazin-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-cyclopropylpiperazin-1-yl)-2-[(8-fluoro-2-methyl-6-quinolyl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine CAS Name: 6-(4-cyclopropyl-1-piperazinyl)-2-[(8-fluoro-2-methyl-6-quinolinyl)thio]-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine IUPAC Name: 6-(4-cyclopropylpiperazin-1-yl)-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine Traditional Name: [6-(4-cyclopropylpiperazino)-2-[(8-fluoro-2-methyl-6-quinolyl)thio]pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C25H27FN8S MolecularWeight: 490.598883

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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)C6CC6)F

Isomeric SMILES

CC1=NC2=C(C=C(C=C2C=C1)SC3=NC(=CC(=N3)NC4=NNC(=C4)C)N5CCN(CC5)C6CC6)F

InChI

InChI=1S/C25H27FN8S/c1-15-3-4-17-12-19(13-20(26)24(17)27-15)35-25-29-21(28-22-11-16(2)31-32-22)14-23(30-25)34-9-7-33(8-10-34)18-5-6-18/h3-4,11-14,18H,5-10H2,1-2H3,(H2,28,29,30,31,32)