2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one

Systemtic Name: 2-[[4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one Openeye Name: 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 2-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methylthio]-3,5-dimethyl-4-quinazolinone IUPAC Name: 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one Traditional Name: 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzyl]thio]-3,5-dimethyl-quinazolin-4-one Formula: C28H27FN4O2S MolecularWeight: 502.602983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN4O2S/c1-19-4-3-5-24-25(19)27(35)31(2)28(30-24)36-18-20-6-8-21(9-7-20)26(34)33-16-14-32(15-17-33)23-12-10-22(29)11-13-23/h3-13H,14-18H2,1-2H3