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

Systemtic Name: 5-bromanyl-N2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-N4-(5-isopropyl-1H-pyrazol-3-yl)-N2-[(3-phenylisoxazol-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-[(3-phenyl-5-isoxazolyl)methyl]-N4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine Traditional Name: [5-bromo-4-[(5-isopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-[(3-phenylisoxazol-5-yl)methyl]amine Formula: C20H20BrN7O MolecularWeight: 454.3231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN7O/c1-12(2)16-9-18(27-26-16)24-19-15(21)11-23-20(25-19)22-10-14-8-17(28-29-14)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H3,22,23,24,25,26,27)