2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)ethanamide

Systemtic Name: 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)ethanamide Openeye Name: 2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)acetamide CAS Name: 2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(1-cyano-1-cyclopropylethyl)acetamide IUPAC Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropylethyl)acetamide Traditional Name: 2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(1-cyano-1-cyclopropyl-ethyl)acetamide Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC(C)(C#N)C3CC3

InChI

InChI=1S/C20H23ClN4O2S/c1-12(2)9-25-18(27)15-8-14(21)6-7-16(15)23-19(25)28-10-17(26)24-20(3,11-22)13-4-5-13/h6-8,12-13H,4-5,9-10H2,1-3H3,(H,24,26)