N,N-dimethyl-2-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]quinoline-4-carboxamide

Systemtic Name: N,N-dimethyl-2-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]quinoline-4-carboxamide Openeye Name: N,N-dimethyl-2-[2-(3-pyridylmethylamino)pyrimidin-5-yl]quinoline-4-carboxamide CAS Name: N,N-dimethyl-2-[2-(3-pyridinylmethylamino)-5-pyrimidinyl]-4-quinolinecarboxamide IUPAC Name: N,N-dimethyl-2-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]quinoline-4-carboxamide Traditional Name: N,N-dimethyl-2-[2-(3-pyridylmethylamino)pyrimidin-5-yl]cinchoninamide Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=C(N=C3)NCC4=CN=CC=C4

Isomeric SMILES

CN(C)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=C(N=C3)NCC4=CN=CC=C4

InChI

InChI=1S/C22H20N6O/c1-28(2)21(29)18-10-20(27-19-8-4-3-7-17(18)19)16-13-25-22(26-14-16)24-12-15-6-5-9-23-11-15/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)