1-(azepan-1-yl)-2-[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[2-(4-fluorophenyl)-6-methyl-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]thio]ethanone Formula: C23H24FN3OS MolecularWeight: 409.519563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N3CCCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N3CCCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN3OS/c1-16-6-11-20-19(14-16)23(26-22(25-20)17-7-9-18(24)10-8-17)29-15-21(28)27-12-4-2-3-5-13-27/h6-11,14H,2-5,12-13,15H2,1H3