2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide Openeye Name: 2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: 2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyano-3-methylbutan-2-yl)acetamide IUPAC Name: 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C21H21ClN4O3S/c1-13(2)21(3,12-23)25-18(27)11-30-20-24-17-9-14(22)6-7-16(17)19(28)26(20)10-15-5-4-8-29-15/h4-9,13H,10-11H2,1-3H3,(H,25,27)