ethyl 4-azanyl-2-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19FN4O3S MolecularWeight: 390.431863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C2=CC=C(C=C2)F)C(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C2=CC=C(C=C2)F)C(=O)NC3CC3

InChI

InChI=1S/C18H19FN4O3S/c1-2-26-17(25)13-9-21-18(23-15(13)20)27-14(16(24)22-12-7-8-12)10-3-5-11(19)6-4-10/h3-6,9,12,14H,2,7-8H2,1H3,(H,22,24)(H2,20,21,23)