ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=NC(=CS2)C)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=NC(=CS2)C)SCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4S2/c1-3-29-19(28)16-11-22-21(30-10-9-15-7-5-4-6-8-15)25(18(16)27)12-17(26)24-20-23-14(2)13-31-20/h4-8,11,13H,3,9-10,12H2,1-2H3,(H,23,24,26)