6,7-diethoxy-4-[[2-ethyl-3-[(pyrimidin-2-ylamino)methyl]phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[(pyrimidin-2-ylamino)methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[(pyrimidin-2-ylamino)methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[(2-pyrimidinylamino)methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[(pyrimidin-2-ylamino)methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[(2-pyrimidylamino)methyl]anilino]quinoline-3-carboxamide Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNC4=NC=CC=N4

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNC4=NC=CC=N4

InChI

InChI=1S/C27H30N6O3/c1-4-18-17(15-32-27-29-11-8-12-30-27)9-7-10-21(18)33-25-19-13-23(35-5-2)24(36-6-3)14-22(19)31-16-20(25)26(28)34/h7-14,16H,4-6,15H2,1-3H3,(H2,28,34)(H,31,33)(H,29,30,32)