(4,6-ditert-butyl-5-oxidanyl-pyrimidin-2-yl)-(1H-pyrazol-5-yl)methanone

Systemtic Name: (4,6-ditert-butyl-5-oxidanyl-pyrimidin-2-yl)-(1H-pyrazol-5-yl)methanone Openeye Name: (4,6-ditert-butyl-5-hydroxy-pyrimidin-2-yl)-(1H-pyrazol-5-yl)methanone CAS Name: (4,6-ditert-butyl-5-hydroxy-2-pyrimidinyl)-(1H-pyrazol-5-yl)methanone IUPAC Name: (4,6-ditert-butyl-5-hydroxypyrimidin-2-yl)-(1H-pyrazol-5-yl)methanone Traditional Name: (4,6-ditert-butyl-5-hydroxy-pyrimidin-2-yl)-(1H-pyrazol-5-yl)methanone Formula: C16H22N4O2 MolecularWeight: 302.37148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NC(=N1)C(=O)C2=CC=NN2)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=C(C(=NC(=N1)C(=O)C2=CC=NN2)C(C)(C)C)O

InChI

InChI=1S/C16H22N4O2/c1-15(2,3)12-11(22)13(16(4,5)6)19-14(18-12)10(21)9-7-8-17-20-9/h7-8,22H,1-6H3,(H,17,20)