(5S)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN=CC2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCN=C[C@H]2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3S/c22-15-14(12-18-6-7-20-8-10-24-11-9-20)16(23)21(17(25)19-15)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,19,22,25)/p+1/t14-/m0/s1