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

Systemtic Name: 2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide Openeye Name: 2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyano-3-methylbutan-2-yl)acetamide IUPAC Name: 2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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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=C2SCC(=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=C2SCC(=O)NC(C)(C#N)C(C)C)C

InChI

InChI=1S/C24H25ClN4O2S/c1-14(2)24(5,13-26)28-21(30)12-32-23-27-19-11-17(25)9-10-18(19)22(31)29(23)20-8-6-7-15(3)16(20)4/h6-11,14H,12H2,1-5H3,(H,28,30)