ethyl 4-azanyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(3,3-dimethyl-2-oxobutyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(3,3-dimethyl-2-oxobutyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-keto-3,3-dimethyl-butyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C(C)(C)C

InChI

InChI=1S/C13H19N3O3S/c1-5-19-11(18)8-6-15-12(16-10(8)14)20-7-9(17)13(2,3)4/h6H,5,7H2,1-4H3,(H2,14,15,16)