3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(2-ethoxyethyl)benzamide

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(2-ethoxyethyl)benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(2-ethoxyethyl)benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-(2-ethoxyethyl)benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(2-ethoxyethyl)benzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(2-ethoxyethyl)benzamide Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC(=O)C1=CC(=CC=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOCCNC(=O)C1=CC(=CC=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN5O2/c1-2-29-10-9-23-21(28)15-5-3-7-17(11-15)26-19-13-20(25-14-24-19)27-18-8-4-6-16(22)12-18/h3-8,11-14H,2,9-10H2,1H3,(H,23,28)(H2,24,25,26,27)