ethyl 4-azanyl-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-isopropoxy-2-oxo-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-oxo-2-propan-2-yloxyethyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-oxo-2-propan-2-yloxyethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-isopropoxy-2-keto-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c1-4-18-11(17)8-5-14-12(15-10(8)13)20-6-9(16)19-7(2)3/h5,7H,4,6H2,1-3H3,(H2,13,14,15)