2-chloranyl-4-fluoranyl-N-[4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-thiophen-2-yl]benzamide

Systemtic Name: 2-chloranyl-4-fluoranyl-N-[4-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-thiophen-2-yl]benzamide Openeye Name: 2-chloro-4-fluoro-N-[4-methyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-thienyl]benzamide CAS Name: 2-chloro-4-fluoro-N-[4-methyl-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-thiophenyl]benzamide IUPAC Name: 2-chloro-4-fluoro-N-[4-methyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]benzamide Traditional Name: 2-chloro-4-fluoro-N-[4-methyl-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-thienyl]benzamide Formula: C21H19ClFN5O2S MolecularWeight: 459.924263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=C(C=C(C=C2)F)Cl)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=C(C=C(C=C2)F)Cl)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H19ClFN5O2S/c1-13-11-17(26-19(29)15-4-3-14(23)12-16(15)22)31-18(13)20(30)27-7-9-28(10-8-27)21-24-5-2-6-25-21/h2-6,11-12H,7-10H2,1H3,(H,26,29)