ethyl 4-azanyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18FN3O3S MolecularWeight: 363.406523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FN3O3S/c1-2-24-16(23)13-10-20-17(21-15(13)19)25-9-3-4-14(22)11-5-7-12(18)8-6-11/h5-8,10H,2-4,9H2,1H3,(H2,19,20,21)