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

Systemtic Name: N-(3-cyanophenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxidanyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-[[3-(3,4-dimethoxyphenyl)-6-hydroxy-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H20N4O5S MolecularWeight: 488.5151

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=CC(=C3)O)N=C2SCC(=O)NC4=CC=CC(=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=CC(=C3)O)N=C2SCC(=O)NC4=CC=CC(=C4)C#N)OC

InChI

InChI=1S/C25H20N4O5S/c1-33-21-9-6-17(11-22(21)34-2)29-24(32)19-12-18(30)7-8-20(19)28-25(29)35-14-23(31)27-16-5-3-4-15(10-16)13-26/h3-12,30H,14H2,1-2H3,(H,27,31)