ethyl 2-[[6-azanyl-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-2-methyl-propanoate

Systemtic Name: ethyl 2-[[6-azanyl-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[6-amino-5-[[(4-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C17H19FN4O4S MolecularWeight: 394.420563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN4O4S/c1-4-26-15(25)17(2,3)27-16-21-12(19)11(14(24)22-16)20-13(23)9-5-7-10(18)8-6-9/h5-8H,4H2,1-3H3,(H,20,23)(H3,19,21,22,24)