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

Systemtic Name: methyl 5-cyano-4-(3,3-dimethyl-2-oxidanylidene-butyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-(3,3-dimethyl-2-oxo-butyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-(3,3-dimethyl-2-oxobutyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(3,3-dimethyl-2-oxobutyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-(2-keto-3,3-dimethyl-butyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-12(2,3)8(17)5-13(10(19)20-4)7(6-14)9(18)15-11(21)16-13/h7H,5H2,1-4H3,(H2,15,16,18,21)