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

Systemtic Name: N-[4-[[[3-bromanyl-5-(1-oxidanylpentan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[3-bromo-5-[1-(hydroxymethyl)butylamino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[3-bromo-5-(1-hydroxypentan-2-ylamino)-7-pyrazolo[1,5-a]pyrimidinyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[3-bromo-5-(1-hydroxypentan-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[3-bromo-5-(1-methylolbutylamino)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN6O2/c1-2-3-17(13-30)26-19-10-20(29-21(28-19)18(23)12-25-29)24-11-14-4-8-16(9-5-14)27-22(31)15-6-7-15/h4-5,8-10,12,15,17,24,30H,2-3,6-7,11,13H2,1H3,(H,26,28)(H,27,31)