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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(hydroxymethyl)-1-piperidyl]-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(hydroxymethyl)-1-piperidinyl]-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-keto-2-(4-methylolpiperidino)acetamide Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCC(CC2)CO)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCC(CC2)CO)C3=CC=CC=C3

InChI

InChI=1S/C22H28N6O4/c1-15(30)23-9-10-24-18-13-19(26-20(25-18)17-5-3-2-4-6-17)27-21(31)22(32)28-11-7-16(14-29)8-12-28/h2-6,13,16,29H,7-12,14H2,1H3,(H,23,30)(H2,24,25,26,27,31)