5-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)iminomethyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H21N4O3S+ MolecularWeight: 313.39584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN=CC1C(=O)NC(=S)NC1=O)[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CN=CC1C(=O)NC(=S)NC1=O)[NH+]2CCOCC2

InChI

InChI=1S/C13H20N4O3S/c1-13(2,17-3-5-20-6-4-17)8-14-7-9-10(18)15-12(21)16-11(9)19/h7,9H,3-6,8H2,1-2H3,(H2,15,16,18,19,21)/p+1