2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 2-[[3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 2-[[4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-2-yl]thio]-N-(3-pyridylmethyl)butyramide Formula: C24H30N5O3S+ MolecularWeight: 468.5917

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC[NH+]4CCOCC4

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC[NH+]4CCOCC4

InChI

InChI=1S/C24H29N5O3S/c1-2-21(22(30)26-17-18-6-5-9-25-16-18)33-24-27-20-8-4-3-7-19(20)23(31)29(24)11-10-28-12-14-32-15-13-28/h3-9,16,21H,2,10-15,17H2,1H3,(H,26,30)/p+1