N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-pyridylmethyl)piperazin-1-yl]acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-pyridylmethyl)piperazino]acetamide Formula: C26H32N8O2 MolecularWeight: 488.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N8O2/c1-20(35)28-11-12-29-23-17-24(32-26(31-23)22-5-3-2-4-6-22)30-25(36)19-34-15-13-33(14-16-34)18-21-7-9-27-10-8-21/h2-10,17H,11-16,18-19H2,1H3,(H,28,35)(H2,29,30,31,32,36)