N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-8-oxidanyl-quinoline-2-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-8-oxidanyl-quinoline-2-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-8-hydroxy-quinoline-2-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-8-hydroxy-2-quinolinecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-8-hydroxyquinoline-2-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-8-hydroxy-quinaldamide Formula: C26H27N7O3 MolecularWeight: 485.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=NC3=C(C=CC=C3O)C=C2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=NC3=C(C=CC=C3O)C=C2)C4=CC=CC=C4

InChI

InChI=1S/C26H27N7O3/c1-17(34)27-12-13-28-22-16-23(33-25(32-22)19-6-3-2-4-7-19)29-14-15-30-26(36)20-11-10-18-8-5-9-21(35)24(18)31-20/h2-11,16,35H,12-15H2,1H3,(H,27,34)(H,30,36)(H2,28,29,32,33)