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

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19FN4O3S MolecularWeight: 378.421163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN4O3S/c1-2-25-16(24)13-9-21-17(22-15(13)19)26-10-14(23)20-8-7-11-3-5-12(18)6-4-11/h3-6,9H,2,7-8,10H2,1H3,(H,20,23)(H2,19,21,22)