2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCOC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCOC

InChI

InChI=1S/C20H25ClN4O3S/c1-12(2)20(4,11-22)24-17(26)13(3)29-19-23-16-10-14(21)6-7-15(16)18(27)25(19)8-9-28-5/h6-7,10,12-13H,8-9H2,1-5H3,(H,24,26)