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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(2-furfurylcarbamoyl)acetamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H23ClN4O4S/c1-13(2)7-8-26-19(28)16-6-5-14(22)10-17(16)24-21(26)31-12-18(27)25-20(29)23-11-15-4-3-9-30-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H2,23,25,27,29)