ethyl 4-azanyl-2-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N5O4S2 MolecularWeight: 409.48316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(=O)NCCC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C16H19N5O4S2/c1-2-25-14(23)11-8-19-16(21-13(11)17)27-9-12(22)20-15(24)18-6-5-10-4-3-7-26-10/h3-4,7-8H,2,5-6,9H2,1H3,(H2,17,19,21)(H2,18,20,22,24)