4-tert-butyl-N-[3-oxidanylidene-3-(pyrimidin-2-ylamino)propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-oxidanylidene-3-(pyrimidin-2-ylamino)propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-oxo-3-(pyrimidin-2-ylamino)propyl]benzamide CAS Name: 4-tert-butyl-N-[3-oxo-3-(2-pyrimidinylamino)propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-oxo-3-(pyrimidin-2-ylamino)propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-(2-pyrimidylamino)propyl]benzamide Formula: C18H22N4O2 MolecularWeight: 326.39288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC=CC=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC=CC=N2

InChI

InChI=1S/C18H22N4O2/c1-18(2,3)14-7-5-13(6-8-14)16(24)19-12-9-15(23)22-17-20-10-4-11-21-17/h4-8,10-11H,9,12H2,1-3H3,(H,19,24)(H,20,21,22,23)