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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cyclopentylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cyclopentylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(4-cyclopentyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-cyclopentylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cyclopentylpiperazino)-2-keto-acetamide Formula: C25H33N7O3 MolecularWeight: 479.57462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCN(CC2)C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCN(CC2)C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N7O3/c1-18(33)26-11-12-27-21-17-22(29-23(28-21)19-7-3-2-4-8-19)30-24(34)25(35)32-15-13-31(14-16-32)20-9-5-6-10-20/h2-4,7-8,17,20H,5-6,9-16H2,1H3,(H,26,33)(H2,27,28,29,30,34)