3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]amino]benzoic acid Formula: C16H15N5O5 MolecularWeight: 357.3208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H15N5O5/c1-19-13-12(14(23)20(2)16(19)26)17-8-21(13)7-11(22)18-10-5-3-4-9(6-10)15(24)25/h3-6,8H,7H2,1-2H3,(H,18,22)(H,24,25)