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

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-(4-methylpentan-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(1,3-dimethylbutyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-(4-methylpentan-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(4-methylpentan-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(1,3-dimethylbutyl)pyrrolidine-2-carboxamide Formula: C21H28BrN5O MolecularWeight: 446.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC(=O)C1CCCN1C2=CC(=NC=N2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)CC(C)NC(=O)C1CCCN1C2=CC(=NC=N2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H28BrN5O/c1-14(2)10-15(3)25-21(28)18-8-5-9-27(18)20-12-19(23-13-24-20)26-17-7-4-6-16(22)11-17/h4,6-7,11-15,18H,5,8-10H2,1-3H3,(H,25,28)(H,23,24,26)