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

Systemtic Name: ethyl 4-azanyl-2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-oxo-2-thiophen-2-ylethyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(2-thienyl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC=CS2

InChI

InChI=1S/C13H13N3O3S2/c1-2-19-12(18)8-6-15-13(16-11(8)14)21-7-9(17)10-4-3-5-20-10/h3-6H,2,7H2,1H3,(H2,14,15,16)