[2,4-bis(fluoranyl)phenyl] 4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2,4-bis(fluoranyl)phenyl] 4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: (2,4-difluorophenyl) 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid (2,4-difluorophenyl) ester IUPAC Name: (2,4-difluorophenyl) 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzoic acid (2,4-difluorophenyl) ester Formula: C18H13F2N3O3S MolecularWeight: 389.375926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C=C(N2)N)C(=O)OC3=C(C=C(C=C3)F)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C=C(N2)N)C(=O)OC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C18H13F2N3O3S/c19-12-5-6-14(13(20)7-12)26-17(25)11-3-1-10(2-4-11)9-27-18-22-15(21)8-16(24)23-18/h1-8H,9H2,(H3,21,22,23,24)