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

Systemtic Name: ethyl 4-azanyl-2-[[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(4-fluorophenoxy)methyl]-4-thiazolyl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17FN4O3S2 MolecularWeight: 420.480983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CSC(=N2)COC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CSC(=N2)COC3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN4O3S2/c1-2-25-17(24)14-7-21-18(23-16(14)20)28-10-12-9-27-15(22-12)8-26-13-5-3-11(19)4-6-13/h3-7,9H,2,8,10H2,1H3,(H2,20,21,23)