ethyl 4-azanyl-2-[(Z)-3-(4-fluorophenyl)-3-oxidanylidene-prop-1-enyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(Z)-3-(4-fluorophenyl)-3-oxidanylidene-prop-1-enyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(Z)-3-(4-fluorophenyl)-3-oxo-prop-1-enyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(Z)-3-(4-fluorophenyl)-3-keto-prop-1-enyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H14FN3O3S MolecularWeight: 347.364063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S/C=C\C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H14FN3O3S/c1-2-23-15(22)12-9-19-16(20-14(12)18)24-8-7-13(21)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H2,18,19,20)/b8-7-