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

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-fluorophenyl)-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-fluoro-N-methyl-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-fluoro-N-methylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-fluoro-N-methyl-anilino)-2-keto-ethyl]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)SCC(=O)N(C)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN4O3S/c1-3-24-15(23)12-8-19-16(20-14(12)18)25-9-13(22)21(2)11-6-4-10(17)5-7-11/h4-8H,3,9H2,1-2H3,(H2,18,19,20)