2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)[NH+]5CCOCC5

InChI

InChI=1S/C24H32N4O3S/c29-21(25-17-24(10-4-1-5-11-24)27-12-14-31-15-13-27)16-32-23-26-20-7-3-2-6-19(20)22(30)28(23)18-8-9-18/h2-3,6-7,18H,1,4-5,8-17H2,(H,25,29)/p+1