1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-(quinazolin-4-ylthio)ethanone Formula: C21H20ClFN4OS MolecularWeight: 430.926103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H20ClFN4OS/c22-17-5-3-6-18(23)16(17)12-26-8-10-27(11-9-26)20(28)13-29-21-15-4-1-2-7-19(15)24-14-25-21/h1-7,14H,8-13H2