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

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-(6-methoxypyridin-3-yl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(6-methoxy-3-pyridyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-(6-methoxy-3-pyridinyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(6-methoxypyridin-3-yl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(6-methoxy-3-pyridyl)pyrrolidine-2-carboxamide Formula: C21H21BrN6O2 MolecularWeight: 469.33444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN6O2/c1-30-20-8-7-16(12-23-20)27-21(29)17-6-3-9-28(17)19-11-18(24-13-25-19)26-15-5-2-4-14(22)10-15/h2,4-5,7-8,10-13,17H,3,6,9H2,1H3,(H,27,29)(H,24,25,26)