5-bromanyl-N4-(5-tert-butyl-1H-pyrazol-3-yl)-N2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N4-(5-tert-butyl-1H-pyrazol-3-yl)-N2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-bromo-N4-(5-tert-butyl-1H-pyrazol-3-yl)-N2-[(3-phenylisoxazol-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-(5-tert-butyl-1H-pyrazol-3-yl)-N2-[(3-phenyl-5-isoxazolyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [5-bromo-4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-[(3-phenylisoxazol-5-yl)methyl]amine Formula: C21H22BrN7O MolecularWeight: 468.34968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)NC2=NC(=NC=C2Br)NCC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)NC2=NC(=NC=C2Br)NCC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22BrN7O/c1-21(2,3)17-10-18(28-27-17)25-19-15(22)12-24-20(26-19)23-11-14-9-16(29-30-14)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H3,23,24,25,26,27,28)