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

Systemtic Name: methyl 5-cyano-4-(2-cyclopropyl-2-oxidanylidene-ethyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-(2-cyclopropyl-2-oxo-ethyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-(2-cyclopropyl-2-oxoethyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(2-cyclopropyl-2-oxoethyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-4-(2-cyclopropyl-2-keto-ethyl)-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2CC2

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2CC2

InChI

InChI=1S/C12H13N3O4S/c1-19-10(18)12(4-8(16)6-2-3-6)7(5-13)9(17)14-11(20)15-12/h6-7H,2-4H2,1H3,(H2,14,15,17,20)