2-[3-[8-methyl-2,6-bis(oxidanylidene)purin-1-yl]-1,2,4-oxadiazol-5-yl]benzoic acid

Systemtic Name: 2-[3-[8-methyl-2,6-bis(oxidanylidene)purin-1-yl]-1,2,4-oxadiazol-5-yl]benzoic acid Openeye Name: 2-[3-(8-methyl-2,6-dioxo-purin-1-yl)-1,2,4-oxadiazol-5-yl]benzoic acid CAS Name: 2-[3-(8-methyl-2,6-dioxo-1-purinyl)-1,2,4-oxadiazol-5-yl]benzoic acid IUPAC Name: 2-[3-(8-methyl-2,6-dioxopurin-1-yl)-1,2,4-oxadiazol-5-yl]benzoic acid Traditional Name: 2-[3-(2,6-diketo-8-methyl-purin-1-yl)-1,2,4-oxadiazol-5-yl]benzoic acid Formula: C15H8N6O5 MolecularWeight: 352.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=O)N(C(=O)C2=N1)C3=NOC(=N3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=NC2=NC(=O)N(C(=O)C2=N1)C3=NOC(=N3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C15H8N6O5/c1-6-16-9-10(17-6)18-15(25)21(12(9)22)14-19-11(26-20-14)7-4-2-3-5-8(7)13(23)24/h2-5H,1H3,(H,23,24)