2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-pentyl-ethanamide

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-pentyl-ethanamide Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-pentyl-acetamide CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-pentylacetamide IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-pentylacetamide Traditional Name: N-amyl-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3

Isomeric SMILES

CCCCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3

InChI

InChI=1S/C20H28N4O2S/c1-2-3-6-9-21-19(25)15-27-20-16-7-4-5-8-17(16)22-18(23-20)14-24-10-12-26-13-11-24/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,21,25)/p+1