ethyl 4-azanyl-2-[2-oxidanylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16N6O3S2 MolecularWeight: 416.47734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=NN=C(S2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=NN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N6O3S2/c1-2-26-15(25)11-8-19-16(21-13(11)18)27-9-12(24)20-17-23-22-14(28-17)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,18,19,21)(H,20,23,24)