2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: 2-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: 2-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: 2-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)acetamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCCC#N

InChI

InChI=1S/C19H21ClN4O2S/c20-13-7-8-15-16(11-13)23-19(27-12-17(25)22-10-4-9-21)24(18(15)26)14-5-2-1-3-6-14/h7-8,11,14H,1-6,10,12H2,(H,22,25)