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

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(p-tolyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-(4-methylphenyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(p-tolyl)pyrrolidine-2-carboxamide Formula: C22H22BrN5O MolecularWeight: 452.34698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN5O/c1-15-7-9-17(10-8-15)27-22(29)19-6-3-11-28(19)21-13-20(24-14-25-21)26-18-5-2-4-16(23)12-18/h2,4-5,7-10,12-14,19H,3,6,11H2,1H3,(H,27,29)(H,24,25,26)