2-[7-chloranyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)propanamide Openeye Name: 2-[7-chloro-3-(2-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)propanamide CAS Name: 2-[[7-chloro-3-(2-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(3,4-dimethoxyphenyl)propanamide IUPAC Name: 2-[7-chloro-3-(2-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: 2-[[7-chloro-3-(2-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(3,4-dimethoxyphenyl)propionamide Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CC(CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C22H24ClN3O5S/c1-12(27)11-26-21(29)16-7-5-14(23)9-17(16)25-22(26)32-13(2)20(28)24-15-6-8-18(30-3)19(10-15)31-4/h5-10,12-13,27H,11H2,1-4H3,(H,24,28)