2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H21ClN4O2S/c1-14(2)12-27-21(29)18-11-16(23)5-8-19(18)26-22(27)30-13-20(28)25-17-6-3-15(4-7-17)9-10-24/h3-8,11,14H,9,12-13H2,1-2H3,(H,25,28)