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

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-[2-(1-piperidyl)ethyl]pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-[2-(1-piperidinyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(2-piperidinoethyl)pyrrolidine-2-carboxamide Formula: C22H29BrN6O MolecularWeight: 473.40926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(CC1)CCNC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H29BrN6O/c23-17-6-4-7-18(14-17)27-20-15-21(26-16-25-20)29-12-5-8-19(29)22(30)24-9-13-28-10-2-1-3-11-28/h4,6-7,14-16,19H,1-3,5,8-13H2,(H,24,30)(H,25,26,27)