2-[[4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)azo]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]benzoyl]amino]glutaric acid Formula: C17H16N8O5S MolecularWeight: 444.42454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N=NC2=NC3C(=N2)NC(=NC3=S)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N=NC2=NC3C(=N2)NC(=NC3=S)N

InChI

InChI=1S/C17H16N8O5S/c18-16-21-12-11(14(31)23-16)20-17(22-12)25-24-8-3-1-7(2-4-8)13(28)19-9(15(29)30)5-6-10(26)27/h1-4,9,11H,5-6H2,(H,19,28)(H,26,27)(H,29,30)(H3,18,20,21,22,23,31)