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

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-(4-phenylbutyl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(4-phenylbutyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-(4-phenylbutyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(4-phenylbutyl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(4-phenylbutyl)pyrrolidine-2-carboxamide Formula: C25H28BrN5O MolecularWeight: 494.42672

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)NCCCCC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C25H28BrN5O/c26-20-11-6-12-21(16-20)30-23-17-24(29-18-28-23)31-15-7-13-22(31)25(32)27-14-5-4-10-19-8-2-1-3-9-19/h1-3,6,8-9,11-12,16-18,22H,4-5,7,10,13-15H2,(H,27,32)(H,28,29,30)