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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(2-cyanophenyl)piperazin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(2-cyanophenyl)piperazin-1-yl]acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(2-cyanophenyl)-1-piperazinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(2-cyanophenyl)piperazin-1-yl]acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(2-cyanophenyl)piperazino]acetamide Formula: C27H30N8O2 MolecularWeight: 498.5795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H30N8O2/c1-20(36)29-11-12-30-24-17-25(33-27(32-24)21-7-3-2-4-8-21)31-26(37)19-34-13-15-35(16-14-34)23-10-6-5-9-22(23)18-28/h2-10,17H,11-16,19H2,1H3,(H,29,36)(H2,30,31,32,33,37)