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

Systemtic Name: ethyl 4-azanyl-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-benzyloxy-2-oxo-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-oxo-2-phenylmethoxyethyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-oxo-2-phenylmethoxyethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-benzoxy-2-keto-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O4S/c1-2-22-15(21)12-8-18-16(19-14(12)17)24-10-13(20)23-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H2,17,18,19)