2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(cyclohexylcarbamoyl)propionamide Formula: C20H25BrN4O3S MolecularWeight: 481.4065

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C20H25BrN4O3S/c1-3-25-18(27)15-11-13(21)9-10-16(15)23-20(25)29-12(2)17(26)24-19(28)22-14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H2,22,24,26,28)