2-azanyl-1-[4-[6-(2-fluoranyl-4-methylsulfonyl-phenoxy)-5-methyl-pyrimidin-4-yl]oxypiperidin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 2-azanyl-1-[4-[6-(2-fluoranyl-4-methylsulfonyl-phenoxy)-5-methyl-pyrimidin-4-yl]oxypiperidin-1-yl]-3-methyl-butan-1-one Openeye Name: 2-amino-1-[4-[6-(2-fluoro-4-methylsulfonyl-phenoxy)-5-methyl-pyrimidin-4-yl]oxy-1-piperidyl]-3-methyl-butan-1-one CAS Name: 2-amino-1-[4-[[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-4-pyrimidinyl]oxy]-1-piperidinyl]-3-methyl-1-butanone IUPAC Name: 2-amino-1-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-1-one Traditional Name: 2-amino-1-[4-[6-(2-fluoro-4-mesyl-phenoxy)-5-methyl-pyrimidin-4-yl]oxypiperidino]-3-methyl-butan-1-one Formula: C22H29FN4O5S MolecularWeight: 480.552863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1OC2CCN(CC2)C(=O)C(C(C)C)N)OC3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC1=C(N=CN=C1OC2CCN(CC2)C(=O)C(C(C)C)N)OC3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C22H29FN4O5S/c1-13(2)19(24)22(28)27-9-7-15(8-10-27)31-20-14(3)21(26-12-25-20)32-18-6-5-16(11-17(18)23)33(4,29)30/h5-6,11-13,15,19H,7-10,24H2,1-4H3