N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3-oxidanylpiperidin-1-yl)ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3-oxidanylpiperidin-1-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3-hydroxy-1-piperidyl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(3-hydroxy-1-piperidinyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(3-hydroxypiperidin-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3-hydroxypiperidino)acetamide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCCC(C2)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCCC(C2)O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N6O3/c1-15(28)22-9-10-23-18-12-19(26-21(25-18)16-6-3-2-4-7-16)24-20(30)14-27-11-5-8-17(29)13-27/h2-4,6-7,12,17,29H,5,8-11,13-14H2,1H3,(H,22,28)(H2,23,24,25,26,30)