6-bromanyl-2-chloranyl-N-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-chloranyl-N-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]quinoline-4-carboxamide Openeye Name: 6-bromo-2-chloro-N-[4-[2-cyanoethyl(2-furylmethyl)amino]pyrimidin-5-yl]quinoline-4-carboxamide CAS Name: 6-bromo-2-chloro-N-[4-[2-cyanoethyl(2-furanylmethyl)amino]-5-pyrimidinyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-chloro-N-[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]quinoline-4-carboxamide Traditional Name: 6-bromo-2-chloro-N-[4-[2-cyanoethyl(2-furfuryl)amino]pyrimidin-5-yl]cinchoninamide Formula: C22H16BrClN6O2 MolecularWeight: 511.75844

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(CCC#N)C2=NC=NC=C2NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)Cl

Isomeric SMILES

C1=COC(=C1)CN(CCC#N)C2=NC=NC=C2NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)Cl

InChI

InChI=1S/C22H16BrClN6O2/c23-14-4-5-18-16(9-14)17(10-20(24)28-18)22(31)29-19-11-26-13-27-21(19)30(7-2-6-25)12-15-3-1-8-32-15/h1,3-5,8-11,13H,2,7,12H2,(H,29,31)