furan-2-yl-[4-[2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[2-(4-thiomorpholin-4-iumylmethyl)-4-quinazolinyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]piperazino]methanone Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CSCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C22H25N5O2S/c28-22(19-6-3-13-29-19)27-9-7-26(8-10-27)21-17-4-1-2-5-18(17)23-20(24-21)16-25-11-14-30-15-12-25/h1-6,13H,7-12,14-16H2/p+1