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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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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(CCC#N)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O2S/c1-15(2)7-12-27-20(29)17-6-5-16(22)13-18(17)25-21(27)30-14-19(28)26(10-3-8-23)11-4-9-24/h5-6,13,15H,3-4,7,10-12,14H2,1-2H3