5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C10H11N5O2S MolecularWeight: 265.29164

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CCN=CC2C(=O)NC(=S)NC2=O

Isomeric SMILES

C1=C(NC=N1)CCN=CC2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C10H11N5O2S/c16-8-7(9(17)15-10(18)14-8)4-11-2-1-6-3-12-5-13-6/h3-5,7H,1-2H2,(H,12,13)(H2,14,15,16,17,18)