2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-morpholin-4-yl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-6-morpholin-4-yl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-benzyl-6-morpholino-quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-6-(4-morpholinyl)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-benzyl-6-morpholin-4-ylquinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-benzyl-6-morpholino-quinazolin-4-one Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4S/c1-20(33)22-8-11-27(35-2)23(16-22)19-37-29-30-26-10-9-24(31-12-14-36-15-13-31)17-25(26)28(34)32(29)18-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18-19H2,1-2H3