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

Systemtic Name: (2R)-2-[[6-azanyl-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[6-amino-5-[[(4-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoate IUPAC Name: (2R)-2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[6-amino-5-[(4-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]propionate Formula: C14H12FN4O4S- MolecularWeight: 351.332883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H13FN4O4S/c1-6(13(22)23)24-14-18-10(16)9(12(21)19-14)17-11(20)7-2-4-8(15)5-3-7/h2-6H,1H3,(H,17,20)(H,22,23)(H3,16,18,19,21)/p-1/t6-/m1/s1