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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(4-ethyl-1-piperazinyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-ethylpiperazino)acetamide Formula: C22H31N7O2 MolecularWeight: 425.52724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=CC(=NC(=N2)C3=CC=CC=C3)NCCNC(=O)C

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=CC(=NC(=N2)C3=CC=CC=C3)NCCNC(=O)C

InChI

InChI=1S/C22H31N7O2/c1-3-28-11-13-29(14-12-28)16-21(31)25-20-15-19(24-10-9-23-17(2)30)26-22(27-20)18-7-5-4-6-8-18/h4-8,15H,3,9-14,16H2,1-2H3,(H,23,30)(H2,24,25,26,27,31)