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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(C)CCC#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(C)CCC#N

InChI

InChI=1S/C19H23ClN4O2S/c1-13(2)7-10-24-18(26)15-6-5-14(20)11-16(15)22-19(24)27-12-17(25)23(3)9-4-8-21/h5-6,11,13H,4,7,9-10,12H2,1-3H3