N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-(2,4-difluorophenyl)-1-piperazinyl]-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(2,4-difluorophenyl)piperazino]-2-keto-acetamide Formula: C26H27F2N7O3 MolecularWeight: 523.534486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)F)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)F)C4=CC=CC=C4

InChI

InChI=1S/C26H27F2N7O3/c1-17(36)29-9-10-30-22-16-23(32-24(31-22)18-5-3-2-4-6-18)33-25(37)26(38)35-13-11-34(12-14-35)21-8-7-19(27)15-20(21)28/h2-8,15-16H,9-14H2,1H3,(H,29,36)(H2,30,31,32,33,37)