1-[(2S)-butan-2-yl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-[(2S)-butan-2-yl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(1S)-1-methylpropyl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(2S)-butan-2-yl]-5-[[2-(4-morpholin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(2S)-butan-2-yl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[(1S)-1-methylpropyl]-5-[(2-morpholin-4-ium-4-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H25N4O3S+ MolecularWeight: 341.449

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)NC1=S

Isomeric SMILES

CC[C@H](C)N1C(=O)C(=CNCC[NH+]2CCOCC2)C(=O)NC1=S

InChI

InChI=1S/C15H24N4O3S/c1-3-11(2)19-14(21)12(13(20)17-15(19)23)10-16-4-5-18-6-8-22-9-7-18/h10-11,16H,3-9H2,1-2H3,(H,17,20,23)/p+1/t11-/m0/s1