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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(2-thenylamino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC=CS2

InChI

InChI=1S/C14H16N4O3S2/c1-2-21-13(20)10-7-17-14(18-12(10)15)23-8-11(19)16-6-9-4-3-5-22-9/h3-5,7H,2,6,8H2,1H3,(H,16,19)(H2,15,17,18)