N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]adamantane-1-carboxamide Formula: C28H38N6O2 MolecularWeight: 490.64032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H38N6O2/c1-18-24(30-9-8-29-19(2)35)33-26(23-6-4-3-5-7-23)34-25(18)31-10-11-32-27(36)28-15-20-12-21(16-28)14-22(13-20)17-28/h3-7,20-22H,8-17H2,1-2H3,(H,29,35)(H,32,36)(H2,30,31,33,34)