methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidenepropyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidenepropyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 4-acetonyl-5-cyano-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxopropyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxopropyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 4-acetonyl-5-cyano-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C10H11N3O4S MolecularWeight: 269.27704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C(C(=O)NC(=S)N1)C#N)C(=O)OC

Isomeric SMILES

CC(=O)CC1(C(C(=O)NC(=S)N1)C#N)C(=O)OC

InChI

InChI=1S/C10H11N3O4S/c1-5(14)3-10(8(16)17-2)6(4-11)7(15)12-9(18)13-10/h6H,3H2,1-2H3,(H2,12,13,15,18)