N-(2-methylbutan-2-yl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-methylbutan-2-yl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-(1,1-dimethylpropyl)piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-(2-methylbutan-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide Traditional Name: N-tert-amyl-1-(4-anilinopyrimidin-2-yl)isonipecotamide Formula: C21H29N5O MolecularWeight: 367.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1CCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)NC(=O)C1CCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O/c1-4-21(2,3)25-19(27)16-11-14-26(15-12-16)20-22-13-10-18(24-20)23-17-8-6-5-7-9-17/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H,25,27)(H,22,23,24)