2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-(3,5-dimethoxyphenyl)-7-[4-morpholinyl(oxo)methyl]-4-quinazolinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C28H26ClN3O5S MolecularWeight: 552.04114

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H26ClN3O5S/c1-35-22-14-21(15-23(16-22)36-2)32-27(34)24-8-5-19(26(33)31-9-11-37-12-10-31)13-25(24)30-28(32)38-17-18-3-6-20(29)7-4-18/h3-8,13-16H,9-12,17H2,1-2H3