ethyl 4-azanyl-2-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[3-(2-fluoroanilino)-3-oxo-propyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[3-(2-fluoroanilino)-3-oxopropyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(2-fluoroanilino)-3-oxopropyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[3-(2-fluoroanilino)-3-keto-propyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17FN4O3S MolecularWeight: 364.394583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCC(=O)NC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCC(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C16H17FN4O3S/c1-2-24-15(23)10-9-19-16(21-14(10)18)25-8-7-13(22)20-12-6-4-3-5-11(12)17/h3-6,9H,2,7-8H2,1H3,(H,20,22)(H2,18,19,21)