3-(3-methoxyphenyl)-7-morpholin-4-ylcarbonyl-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3-methoxyphenyl)-7-morpholin-4-ylcarbonyl-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-7-[4-morpholinyl(oxo)methyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C27H25N3O4S MolecularWeight: 487.5701

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4S/c1-33-22-9-5-8-21(17-22)30-26(32)23-11-10-20(25(31)29-12-14-34-15-13-29)16-24(23)28-27(30)35-18-19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3