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

Systemtic Name: [4-azanyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-fluoranyl-2-propan-2-yloxy-phenyl)methanone Openeye Name: [4-amino-2-[(1-methylsulfonyl-4-piperidyl)amino]pyrimidin-5-yl]-(5-fluoro-2-isopropoxy-phenyl)methanone CAS Name: [4-amino-2-[(1-methylsulfonyl-4-piperidinyl)amino]-5-pyrimidinyl]-(5-fluoro-2-propan-2-yloxyphenyl)methanone IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-fluoro-2-propan-2-yloxyphenyl)methanone Traditional Name: [4-amino-2-[(1-mesyl-4-piperidyl)amino]pyrimidin-5-yl]-(5-fluoro-2-isopropoxy-phenyl)methanone Formula: C20H26FN5O4S MolecularWeight: 451.514943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H26FN5O4S/c1-12(2)30-17-5-4-13(21)10-15(17)18(27)16-11-23-20(25-19(16)22)24-14-6-8-26(9-7-14)31(3,28)29/h4-5,10-12,14H,6-9H2,1-3H3,(H3,22,23,24,25)