N-[4-[4-(4-tert-butyl-4-oxidanyl-piperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide

Systemtic Name: N-[4-[4-(4-tert-butyl-4-oxidanyl-piperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(4-tert-butyl-4-hydroxy-1-piperidyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(4-tert-butyl-4-hydroxy-1-piperidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(4-tert-butyl-4-hydroxy-piperidino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]propionamide Formula: C26H35N7O2S MolecularWeight: 509.6668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCC(CC4)(C(C)(C)C)O

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCC(CC4)(C(C)(C)C)O

InChI

InChI=1S/C26H35N7O2S/c1-6-23(34)27-18-7-9-19(10-8-18)36-24-29-20(28-21-15-17(2)31-32-21)16-22(30-24)33-13-11-26(35,12-14-33)25(3,4)5/h7-10,15-16,35H,6,11-14H2,1-5H3,(H,27,34)(H2,28,29,30,31,32)