2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)ethanamide

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O2S/c1-2-9-25-18(27)15-12-14(20)5-6-16(15)23-19(25)28-13-17(26)24(10-3-7-21)11-4-8-22/h2,5-6,12H,1,3-4,9-11,13H2