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

Systemtic Name: [4-azanyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-fluoranyl-2-methyl-phenyl)methanone Openeye Name: [4-amino-2-[(1-methylsulfonyl-4-piperidyl)amino]pyrimidin-5-yl]-(5-fluoro-2-methyl-phenyl)methanone CAS Name: [4-amino-2-[(1-methylsulfonyl-4-piperidinyl)amino]-5-pyrimidinyl]-(5-fluoro-2-methylphenyl)methanone IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-fluoro-2-methylphenyl)methanone Traditional Name: [4-amino-2-[(1-mesyl-4-piperidyl)amino]pyrimidin-5-yl]-(5-fluoro-2-methyl-phenyl)methanone Formula: C18H22FN5O3S MolecularWeight: 407.462383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H22FN5O3S/c1-11-3-4-12(19)9-14(11)16(25)15-10-21-18(23-17(15)20)22-13-5-7-24(8-6-13)28(2,26)27/h3-4,9-10,13H,5-8H2,1-2H3,(H3,20,21,22,23)