N-(3,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]acetamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4)OC

InChI

InChI=1S/C25H30N4O5S/c1-32-21-9-8-18(16-22(21)33-2)26-23(30)17-35-25-27-20-7-4-3-6-19(20)24(31)29(25)11-5-10-28-12-14-34-15-13-28/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,26,30)