(2-chloranyl-6-fluoranyl-phenyl)-[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)-[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (2-chloro-6-fluoro-phenyl)-[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (2-chloro-6-fluorophenyl)-[4-(2,6-dimethoxy-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-6-fluorophenyl)-[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (2-chloro-6-fluoro-phenyl)-[4-(2,6-dimethoxypyrimidin-4-yl)piperazino]methanone Formula: C17H18ClFN4O3 MolecularWeight: 380.801223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=C(C=CC=C3Cl)F)OC

Isomeric SMILES

COC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=C(C=CC=C3Cl)F)OC

InChI

InChI=1S/C17H18ClFN4O3/c1-25-14-10-13(20-17(21-14)26-2)22-6-8-23(9-7-22)16(24)15-11(18)4-3-5-12(15)19/h3-5,10H,6-9H2,1-2H3