2-[3-(3,4-dimethoxyphenyl)-6-oxidanyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-6-oxidanyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-oxo-2-quinazolinyl]thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-keto-quinazolin-2-yl]thio]-N-(4-methylbenzyl)acetamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=C(C=C3)O)C(=O)N2C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=C(C=C3)O)C(=O)N2C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H25N3O5S/c1-16-4-6-17(7-5-16)14-27-24(31)15-35-26-28-21-10-9-19(30)13-20(21)25(32)29(26)18-8-11-22(33-2)23(12-18)34-3/h4-13,30H,14-15H2,1-3H3,(H,27,31)