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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoate IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzoate Formula: C12H10N3O3S- MolecularWeight: 276.2911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=O)C=C(N2)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=O)C=C(N2)N)C(=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c13-9-5-10(16)15-12(14-9)19-6-7-3-1-2-4-8(7)11(17)18/h1-5H,6H2,(H,17,18)(H3,13,14,15,16)/p-1