ethyl 4-azanyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[2-(4-fluorophenyl)thiazol-4-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-fluorophenyl)-4-thiazolyl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-fluorophenyl)thiazol-4-yl]methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H15FN4O2S2 MolecularWeight: 390.455003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CSC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CSC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN4O2S2/c1-2-24-16(23)13-7-20-17(22-14(13)19)26-9-12-8-25-15(21-12)10-3-5-11(18)6-4-10/h3-8H,2,9H2,1H3,(H2,19,20,22)