1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C21H21BrN6O MolecularWeight: 453.33504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H21BrN6O/c22-16-5-1-6-17(10-16)27-19-11-20(26-14-25-19)28-9-3-7-18(28)21(29)24-13-15-4-2-8-23-12-15/h1-2,4-6,8,10-12,14,18H,3,7,9,13H2,(H,24,29)(H,25,26,27)