N-[4-[[[3-bromanyl-5-[(3-methyl-1-oxidanyl-butan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[[3-bromanyl-5-[(3-methyl-1-oxidanyl-butan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[3-bromo-5-[[1-(hydroxymethyl)-2-methyl-propyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[3-bromo-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-7-pyrazolo[1,5-a]pyrimidinyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[3-bromo-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[3-bromo-5-[(2-methyl-1-methylol-propyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide Formula: C22H27BrN6O2 MolecularWeight: 487.39278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC2=C(C=NN2C(=C1)NCC3=CC=C(C=C3)NC(=O)C4CC4)Br

Isomeric SMILES

CC(C)C(CO)NC1=NC2=C(C=NN2C(=C1)NCC3=CC=C(C=C3)NC(=O)C4CC4)Br

InChI

InChI=1S/C22H27BrN6O2/c1-13(2)18(12-30)27-19-9-20(29-21(28-19)17(23)11-25-29)24-10-14-3-7-16(8-4-14)26-22(31)15-5-6-15/h3-4,7-9,11,13,15,18,24,30H,5-6,10,12H2,1-2H3,(H,26,31)(H,27,28)