2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanethioamide

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanethioamide Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-quinazolin-3-yl]thioacetamide CAS Name: 2-[2-(4-morpholin-4-iumylmethyl)-4-oxo-3-quinazolinyl]ethanethioamide IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxoquinazolin-3-yl]ethanethioamide Traditional Name: 2-[4-keto-2-(morpholin-4-ium-4-ylmethyl)quinazolin-3-yl]thioacetamide Formula: C15H19N4O2S+ MolecularWeight: 319.40196

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=S)N

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=S)N

InChI

InChI=1S/C15H18N4O2S/c16-13(22)9-19-14(10-18-5-7-21-8-6-18)17-12-4-2-1-3-11(12)15(19)20/h1-4H,5-10H2,(H2,16,22)/p+1