1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]ethanone Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4O2S/c1-14-11-17(15(2)22-14)19(26)13-28-21-16-5-3-4-6-18(16)23-20(24-21)12-25-7-9-27-10-8-25/h3-6,11,22H,7-10,12-13H2,1-2H3/p+1