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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(4-ethyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-ethylpiperazino)-2-keto-acetamide Formula: C22H29N7O3 MolecularWeight: 439.51076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O3/c1-3-28-11-13-29(14-12-28)22(32)21(31)27-19-15-18(24-10-9-23-16(2)30)25-20(26-19)17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3,(H,23,30)(H2,24,25,26,27,31)