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

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-fluorophenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(N-benzyl-4-fluoro-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-fluoro-N-(phenylmethyl)anilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(N-benzyl-4-fluoroanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(N-benzyl-4-fluoro-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21FN4O3S MolecularWeight: 440.490543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN4O3S/c1-2-30-21(29)18-12-25-22(26-20(18)24)31-14-19(28)27(13-15-6-4-3-5-7-15)17-10-8-16(23)9-11-17/h3-12H,2,13-14H2,1H3,(H2,24,25,26)