N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloranyl-2-oxidanyl-benzamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloranyl-2-oxidanyl-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloro-2-hydroxy-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-5-chloro-2-hydroxybenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-5-chloro-2-hydroxybenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-5-chloro-2-hydroxy-benzamide Formula: C23H25ClN6O3 MolecularWeight: 468.936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=C(C=CC(=C2)Cl)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=C(C=CC(=C2)Cl)O)C3=CC=CC=C3

InChI

InChI=1S/C23H25ClN6O3/c1-15(31)25-9-10-26-20-14-21(30-22(29-20)16-5-3-2-4-6-16)27-11-12-28-23(33)18-13-17(24)7-8-19(18)32/h2-8,13-14,32H,9-12H2,1H3,(H,25,31)(H,28,33)(H2,26,27,29,30)