[4-azanyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-fluoranyl-6-methoxy-phenyl)methanone

Systemtic Name: [4-azanyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-fluoranyl-6-methoxy-phenyl)methanone Openeye Name: [4-amino-2-[(1-methylsulfonyl-4-piperidyl)amino]pyrimidin-5-yl]-(2-fluoro-6-methoxy-phenyl)methanone CAS Name: [4-amino-2-[(1-methylsulfonyl-4-piperidinyl)amino]-5-pyrimidinyl]-(2-fluoro-6-methoxyphenyl)methanone IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2-fluoro-6-methoxyphenyl)methanone Traditional Name: [4-amino-2-[(1-mesyl-4-piperidyl)amino]pyrimidin-5-yl]-(2-fluoro-6-methoxy-phenyl)methanone Formula: C18H22FN5O4S MolecularWeight: 423.461783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C(=CC=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H22FN5O4S/c1-28-14-5-3-4-13(19)15(14)16(25)12-10-21-18(23-17(12)20)22-11-6-8-24(9-7-11)29(2,26)27/h3-5,10-11H,6-9H2,1-2H3,(H3,20,21,22,23)