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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(3-cyano-2-thienyl)acetamide Formula: C20H19ClN4O2S2 MolecularWeight: 446.97346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H19ClN4O2S2/c1-12(2)5-7-25-19(27)15-4-3-14(21)9-16(15)23-20(25)29-11-17(26)24-18-13(10-22)6-8-28-18/h3-4,6,8-9,12H,5,7,11H2,1-2H3,(H,24,26)