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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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