2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-3-(3-methoxyphenyl)-7-[4-morpholinyl(oxo)methyl]-4-quinazolinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FN3O4S/c1-34-22-4-2-3-21(16-22)31-26(33)23-10-7-19(25(32)30-11-13-35-14-12-30)15-24(23)29-27(31)36-17-18-5-8-20(28)9-6-18/h2-10,15-16H,11-14,17H2,1H3