5-[[2-hydroxyethyl(phenyl)amino]methyl]-2-sulfanylidene-1H-pyrimidine-4,6-diolate

Systemtic Name: 5-[[2-hydroxyethyl(phenyl)amino]methyl]-2-sulfanylidene-1H-pyrimidine-4,6-diolate Openeye Name: 5-[[N-(2-hydroxyethyl)anilino]methyl]-2-thioxo-1H-pyrimidine-4,6-diolate CAS Name: 5-[[N-(2-hydroxyethyl)anilino]methyl]-2-sulfanylidene-1H-pyrimidine-4,6-diolate IUPAC Name: 5-[[N-(2-hydroxyethyl)anilino]methyl]-2-sulfanylidene-1H-pyrimidine-4,6-diolate Traditional Name: 5-[[N-(2-hydroxyethyl)anilino]methyl]-2-thioxo-1H-pyrimidine-4,6-diolate Formula: C13H13N3O3S-2 MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCO)CC2=C(NC(=S)N=C2[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCO)CC2=C(NC(=S)N=C2[O-])[O-]

InChI

InChI=1S/C13H15N3O3S/c17-7-6-16(9-4-2-1-3-5-9)8-10-11(18)14-13(20)15-12(10)19/h1-5,17H,6-8H2,(H3,14,15,18,19,20)/p-2