2-[3-[4-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]butyl-methylsulfonyl-amino]phenyl]ethanamide

Systemtic Name: 2-[3-[4-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]butyl-methylsulfonyl-amino]phenyl]ethanamide Openeye Name: 2-[3-[4-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]butyl-methylsulfonyl-amino]phenyl]acetamide CAS Name: 2-[3-[4-[(5-bromo-2-chloro-4-pyrimidinyl)amino]butyl-methylsulfonylamino]phenyl]acetamide IUPAC Name: 2-[3-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butyl-methylsulfonylamino]phenyl]acetamide Traditional Name: 2-[3-[4-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]butyl-mesyl-amino]phenyl]acetamide Formula: C17H21BrClN5O3S MolecularWeight: 490.80234

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCNC1=NC(=NC=C1Br)Cl)C2=CC=CC(=C2)CC(=O)N

Isomeric SMILES

CS(=O)(=O)N(CCCCNC1=NC(=NC=C1Br)Cl)C2=CC=CC(=C2)CC(=O)N

InChI

InChI=1S/C17H21BrClN5O3S/c1-28(26,27)24(13-6-4-5-12(9-13)10-15(20)25)8-3-2-7-21-16-14(18)11-22-17(19)23-16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H2,20,25)(H,21,22,23)