[4-azanyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-ethyl-5-fluoranyl-phenyl)methanone

Systemtic Name: [4-azanyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-ethyl-5-fluoranyl-phenyl)methanone Openeye Name: [4-amino-2-[(1-methylsulfonyl-4-piperidyl)amino]pyrimidin-5-yl]-(2-ethyl-5-fluoro-phenyl)methanone CAS Name: [4-amino-2-[(1-methylsulfonyl-4-piperidinyl)amino]-5-pyrimidinyl]-(2-ethyl-5-fluorophenyl)methanone IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-ethyl-5-fluorophenyl)methanone Traditional Name: [4-amino-2-[(1-mesyl-4-piperidyl)amino]pyrimidin-5-yl]-(2-ethyl-5-fluoro-phenyl)methanone Formula: C19H24FN5O3S MolecularWeight: 421.488963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H24FN5O3S/c1-3-12-4-5-13(20)10-15(12)17(26)16-11-22-19(24-18(16)21)23-14-6-8-25(9-7-14)29(2,27)28/h4-5,10-11,14H,3,6-9H2,1-2H3,(H3,21,22,23,24)