3-(3,4-dimethoxyphenyl)-2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-3-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-3-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H26N2O5S/c1-5-34-23-12-10-18(17(2)30)14-19(23)16-35-27-28-22-9-7-6-8-21(22)26(31)29(27)20-11-13-24(32-3)25(15-20)33-4/h6-15H,5,16H2,1-4H3