4-tert-butyl-N-[2-methyl-3-[6-(pyridin-2-ylamino)pyrimidin-4-yl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-methyl-3-[6-(pyridin-2-ylamino)pyrimidin-4-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-methyl-3-[6-(2-pyridylamino)pyrimidin-4-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-methyl-3-[6-(2-pyridinylamino)-4-pyrimidinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-methyl-3-[6-(pyridin-2-ylamino)pyrimidin-4-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-methyl-3-[6-(2-pyridylamino)pyrimidin-4-yl]phenyl]benzamide Formula: C27H27N5O MolecularWeight: 437.53618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC=N3)NC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC=N3)NC4=CC=CC=N4

InChI

InChI=1S/C27H27N5O/c1-18-21(23-16-25(30-17-29-23)32-24-10-5-6-15-28-24)8-7-9-22(18)31-26(33)19-11-13-20(14-12-19)27(2,3)4/h5-17H,1-4H3,(H,31,33)(H,28,29,30,32)