2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-quinazolin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-quinazolin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]-6-morpholino-quinazolin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-3-[(4-methoxyphenyl)methyl]-6-(4-morpholinyl)-4-quinazolinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]-6-morpholin-4-ylquinazolin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-6-morpholino-3-p-anisyl-quinazolin-4-one Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)N=C2SCC5=CC(=CC=C5)F

InChI

InChI=1S/C27H26FN3O3S/c1-33-23-8-5-19(6-9-23)17-31-26(32)24-16-22(30-11-13-34-14-12-30)7-10-25(24)29-27(31)35-18-20-3-2-4-21(28)15-20/h2-10,15-16H,11-14,17-18H2,1H3