2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-7-chloro-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N(C)CCC#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N(C)CCC#N

InChI

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