N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-keto-1H-quinoline-4-carboxamide Formula: C26H27N7O3 MolecularWeight: 485.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC(=O)NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC(=O)NC3=CC=CC=C32)C4=CC=CC=C4

InChI

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