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

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-(2-methoxyethyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide Formula: C18H22BrN5O2 MolecularWeight: 420.30358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN5O2/c1-26-9-7-20-18(25)15-6-3-8-24(15)17-11-16(21-12-22-17)23-14-5-2-4-13(19)10-14/h2,4-5,10-12,15H,3,6-9H2,1H3,(H,20,25)(H,21,22,23)