2-[(E)-4-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonylbut-3-enyl]-5-fluoranyl-pyrimidine

Systemtic Name: 2-[(E)-4-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonylbut-3-enyl]-5-fluoranyl-pyrimidine Openeye Name: 2-[(E)-4-[4-(5-chloro-2-pyridyl)piperazin-1-yl]sulfonylbut-3-enyl]-5-fluoro-pyrimidine CAS Name: 2-[(E)-4-[[4-(5-chloro-2-pyridinyl)-1-piperazinyl]sulfonyl]but-3-enyl]-5-fluoropyrimidine IUPAC Name: 2-[(E)-4-[4-(5-chloropyridin-2-yl)piperazin-1-yl]sulfonylbut-3-enyl]-5-fluoropyrimidine Traditional Name: 2-[(E)-4-[4-(5-chloro-2-pyridyl)piperazino]sulfonylbut-3-enyl]-5-fluoro-pyrimidine Formula: C17H19ClFN5O2S MolecularWeight: 411.881463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Cl)S(=O)(=O)C=CCCC3=NC=C(C=N3)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Cl)S(=O)(=O)/C=C/CCC3=NC=C(C=N3)F

InChI

InChI=1S/C17H19ClFN5O2S/c18-14-4-5-17(22-11-14)23-6-8-24(9-7-23)27(25,26)10-2-1-3-16-20-12-15(19)13-21-16/h2,4-5,10-13H,1,3,6-9H2/b10-2+