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

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]adamantane-1-carboxamide Formula: C27H36N6O2 MolecularWeight: 476.61374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C27H36N6O2/c1-18(34)28-7-8-29-23-14-24(33-25(32-23)22-5-3-2-4-6-22)30-9-10-31-26(35)27-15-19-11-20(16-27)13-21(12-19)17-27/h2-6,14,19-21H,7-13,15-17H2,1H3,(H,28,34)(H,31,35)(H2,29,30,32,33)