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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(3-oxidanylidenepentan-2-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-(1-methyl-2-oxo-butyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(3-oxopentan-2-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(3-oxopentan-2-yl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(2-keto-1-methyl-butyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C1(C(C(=O)NC(=S)N1)C#N)C(=O)OC

Isomeric SMILES

CCC(=O)C(C)C1(C(C(=O)NC(=S)N1)C#N)C(=O)OC

InChI

InChI=1S/C12H15N3O4S/c1-4-8(16)6(2)12(10(18)19-3)7(5-13)9(17)14-11(20)15-12/h6-7H,4H2,1-3H3,(H2,14,15,17,20)