1-(2-azanyl-6-phenylazanyl-pyrimidin-4-yl)-N-hexyl-piperidine-4-carboxamide

Systemtic Name: 1-(2-azanyl-6-phenylazanyl-pyrimidin-4-yl)-N-hexyl-piperidine-4-carboxamide Openeye Name: 1-(2-amino-6-anilino-pyrimidin-4-yl)-N-hexyl-piperidine-4-carboxamide CAS Name: 1-(2-amino-6-anilino-4-pyrimidinyl)-N-hexyl-4-piperidinecarboxamide IUPAC Name: 1-(2-amino-6-anilinopyrimidin-4-yl)-N-hexylpiperidine-4-carboxamide Traditional Name: 1-(2-amino-6-anilino-pyrimidin-4-yl)-N-hexyl-isonipecotamide Formula: C22H32N6O MolecularWeight: 396.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1CCN(CC1)C2=CC(=NC(=N2)N)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)C1CCN(CC1)C2=CC(=NC(=N2)N)NC3=CC=CC=C3

InChI

InChI=1S/C22H32N6O/c1-2-3-4-8-13-24-21(29)17-11-14-28(15-12-17)20-16-19(26-22(23)27-20)25-18-9-6-5-7-10-18/h5-7,9-10,16-17H,2-4,8,11-15H2,1H3,(H,24,29)(H3,23,25,26,27)