1-[4-[2-azanyl-5-(2-chloranyl-4-fluoranyl-phenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-azanyl-5-(2-chloranyl-4-fluoranyl-phenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-amino-5-(2-chloro-4-fluoro-phenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-amino-5-[(2-chloro-4-fluorophenyl)thio]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-amino-5-(2-chloro-4-fluorophenyl)sulfanylpyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-amino-5-[(2-chloro-4-fluoro-phenyl)thio]pyrimidin-4-yl]piperazino]ethanone Formula: C16H17ClFN5OS MolecularWeight: 381.855483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC=C2SC3=C(C=C(C=C3)F)Cl)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC=C2SC3=C(C=C(C=C3)F)Cl)N

InChI

InChI=1S/C16H17ClFN5OS/c1-10(24)22-4-6-23(7-5-22)15-14(9-20-16(19)21-15)25-13-3-2-11(18)8-12(13)17/h2-3,8-9H,4-7H2,1H3,(H2,19,20,21)