ethyl 4-azanyl-2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H13N5O3S2 MolecularWeight: 339.39332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=NC=CS2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=NC=CS2

InChI

InChI=1S/C12H13N5O3S2/c1-2-20-10(19)7-5-15-12(17-9(7)13)22-6-8(18)16-11-14-3-4-21-11/h3-5H,2,6H2,1H3,(H2,13,15,17)(H,14,16,18)