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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-piperidin-1-yl-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(1-piperidyl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(1-piperidinyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-piperidin-1-ylacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-piperidino-acetamide Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N6O2/c1-16(28)22-10-11-23-18-14-19(24-20(29)15-27-12-6-3-7-13-27)26-21(25-18)17-8-4-2-5-9-17/h2,4-5,8-9,14H,3,6-7,10-13,15H2,1H3,(H,22,28)(H2,23,24,25,26,29)