3-[4-[[5-bromanyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-propanamide

Systemtic Name: 3-[4-[[5-bromanyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-propanamide Openeye Name: 3-[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-propanamide CAS Name: 3-[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]phenyl]-N-methylpropanamide IUPAC Name: 3-[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylpropanamide Traditional Name: 3-[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methyl-propionamide Formula: C20H22BrN7O MolecularWeight: 456.33898

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=NNC(=C3)C4CC4)Br

Isomeric SMILES

CNC(=O)CCC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=NNC(=C3)C4CC4)Br

InChI

InChI=1S/C20H22BrN7O/c1-22-18(29)9-4-12-2-7-14(8-3-12)24-20-23-11-15(21)19(26-20)25-17-10-16(27-28-17)13-5-6-13/h2-3,7-8,10-11,13H,4-6,9H2,1H3,(H,22,29)(H3,23,24,25,26,27,28)