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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(3-pyridylmethyl)piperazin-1-yl]acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(3-pyridinylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(3-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=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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