3-[5-[bis(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[bis(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[bis(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[bis(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[bis(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[bis(6-amino-4-keto-2-thioxo-1H-pyrimidin-5-yl)methyl]-2-furyl]benzoic acid Formula: C20H16N6O5S2 MolecularWeight: 484.50824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C(C3=C(NC(=S)NC3=O)N)C4=C(NC(=S)NC4=O)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C(C3=C(NC(=S)NC3=O)N)C4=C(NC(=S)NC4=O)N

InChI

InChI=1S/C20H16N6O5S2/c21-14-12(16(27)25-19(32)23-14)11(13-15(22)24-20(33)26-17(13)28)10-5-4-9(31-10)7-2-1-3-8(6-7)18(29)30/h1-6,11H,(H,29,30)(H4,21,23,25,27,32)(H4,22,24,26,28,33)