(2R)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-propanamide

Systemtic Name: (2R)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-propanamide Openeye Name: (2R)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-propanamide CAS Name: (2R)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-methylpropanamide IUPAC Name: (2R)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methylpropanamide Traditional Name: (2R)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-methyl-propionamide Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)N(C)CCC#N

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(C)C

InChI

InChI=1S/C20H25ClN4O2S/c1-13(2)8-11-25-19(27)16-7-6-15(21)12-17(16)23-20(25)28-14(3)18(26)24(4)10-5-9-22/h6-7,12-14H,5,8,10-11H2,1-4H3/t14-/m1/s1