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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[3-(hydroxymethyl)-1-piperidyl]acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[3-(hydroxymethyl)-1-piperidinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3-methylolpiperidino)acetamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O3/c1-16(30)23-9-10-24-19-12-20(27-22(26-19)18-7-3-2-4-8-18)25-21(31)14-28-11-5-6-17(13-28)15-29/h2-4,7-8,12,17,29H,5-6,9-11,13-15H2,1H3,(H,23,30)(H2,24,25,26,27,31)