N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-bromophenyl)-4-hydroxy-piperidino]acetamide Formula: C27H31BrN6O3 MolecularWeight: 567.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCC(CC2)(C3=CC=C(C=C3)Br)O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCC(CC2)(C3=CC=C(C=C3)Br)O)C4=CC=CC=C4

InChI

InChI=1S/C27H31BrN6O3/c1-19(35)29-13-14-30-23-17-24(33-26(32-23)20-5-3-2-4-6-20)31-25(36)18-34-15-11-27(37,12-16-34)21-7-9-22(28)10-8-21/h2-10,17,37H,11-16,18H2,1H3,(H,29,35)(H2,30,31,32,33,36)