4-azanyl-2-[4-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]butoxy]benzenesulfonamide

Systemtic Name: 4-azanyl-2-[4-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]butoxy]benzenesulfonamide Openeye Name: 4-amino-2-[4-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]butoxy]benzenesulfonamide CAS Name: 4-amino-2-[4-[(5-bromo-2-chloro-4-pyrimidinyl)amino]butoxy]benzenesulfonamide IUPAC Name: 4-amino-2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butoxy]benzenesulfonamide Traditional Name: 4-amino-2-[4-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]butoxy]benzenesulfonamide Formula: C14H17BrClN5O3S MolecularWeight: 450.73848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)OCCCCNC2=NC(=NC=C2Br)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=C(C=C1N)OCCCCNC2=NC(=NC=C2Br)Cl)S(=O)(=O)N

InChI

InChI=1S/C14H17BrClN5O3S/c15-10-8-20-14(16)21-13(10)19-5-1-2-6-24-11-7-9(17)3-4-12(11)25(18,22)23/h3-4,7-8H,1-2,5-6,17H2,(H2,18,22,23)(H,19,20,21)