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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-acetylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(4-acetyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-acetylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-acetylpiperazino)-2-keto-acetamide Formula: C22H27N7O4 MolecularWeight: 453.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCN(CC2)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCN(CC2)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H27N7O4/c1-15(30)23-8-9-24-18-14-19(26-20(25-18)17-6-4-3-5-7-17)27-21(32)22(33)29-12-10-28(11-13-29)16(2)31/h3-7,14H,8-13H2,1-2H3,(H,23,30)(H2,24,25,26,27,32)