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

Systemtic Name: 2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C25H27ClN4O2S MolecularWeight: 483.02548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC(C)(C#N)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC(C)(C#N)C(C)C)C

InChI

InChI=1S/C25H27ClN4O2S/c1-14(2)25(6,13-27)29-22(31)17(5)33-24-28-20-12-18(26)10-11-19(20)23(32)30(24)21-9-7-8-15(3)16(21)4/h7-12,14,17H,1-6H3,(H,29,31)