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

Systemtic Name: (2S)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-propanamide Openeye Name: (2S)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-propanamide CAS Name: (2S)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-methylpropanamide IUPAC Name: (2S)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylpropanamide Traditional Name: (2S)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-methyl-propionamide Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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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)NC

Isomeric SMILES

C[C@@H](C(=O)NC)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(C)C

InChI

InChI=1S/C17H22ClN3O2S/c1-10(2)7-8-21-16(23)13-6-5-12(18)9-14(13)20-17(21)24-11(3)15(22)19-4/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)/t11-/m0/s1