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

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-[2-(4-morpholinyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide Formula: C21H27BrN6O2 MolecularWeight: 475.38208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCCN4CCOCC4

Isomeric SMILES

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C21H27BrN6O2/c22-16-3-1-4-17(13-16)26-19-14-20(25-15-24-19)28-7-2-5-18(28)21(29)23-6-8-27-9-11-30-12-10-27/h1,3-4,13-15,18H,2,5-12H2,(H,23,29)(H,24,25,26)