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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(isobutylcarbamoyl)acetamide Formula: C20H27ClN4O3S MolecularWeight: 438.97138

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O3S/c1-12(2)7-8-25-18(27)15-6-5-14(21)9-16(15)23-20(25)29-11-17(26)24-19(28)22-10-13(3)4/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H2,22,24,26,28)