7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(4-fluorophenyl)methylthio]-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-fluorobenzyl)thio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C32H26FN3O3S MolecularWeight: 551.630543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC6=CC=C(C=C6)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC6=CC=C(C=C6)F

InChI

InChI=1S/C32H26FN3O3S/c1-39-27-8-4-7-26(18-27)36-31(38)28-14-11-23(30(37)35-16-15-22-5-2-3-6-24(22)19-35)17-29(28)34-32(36)40-20-21-9-12-25(33)13-10-21/h2-14,17-18H,15-16,19-20H2,1H3