2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide Openeye Name: 2-[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]-N-(2-cyano-3-methylbutan-2-yl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C22H29ClN4O3S MolecularWeight: 465.00866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCCOC(C)C

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCCOC(C)C

InChI

InChI=1S/C22H29ClN4O3S/c1-14(2)22(5,13-24)26-19(28)12-31-21-25-18-11-16(23)7-8-17(18)20(29)27(21)9-6-10-30-15(3)4/h7-8,11,14-15H,6,9-10,12H2,1-5H3,(H,26,28)