5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[3-(4-morpholin-4-iumyl)propyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H19N4O3S+ MolecularWeight: 299.36926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN=CC2C(=O)NC(=S)NC2=O

Isomeric SMILES

C1COCC[NH+]1CCCN=CC2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C12H18N4O3S/c17-10-9(11(18)15-12(20)14-10)8-13-2-1-3-16-4-6-19-7-5-16/h8-9H,1-7H2,(H2,14,15,17,18,20)/p+1