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

Systemtic Name: ethyl 4-azanyl-2-(2-oxidanylidene-2-phenacyloxy-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-oxo-2-phenacyloxy-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-oxo-2-phenacyloxyethyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-oxo-2-phenacyloxyethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-keto-2-phenacyloxy-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O5S/c1-2-24-16(23)12-8-19-17(20-15(12)18)26-10-14(22)25-9-13(21)11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H2,18,19,20)