2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]benzoic acid

Systemtic Name: 2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]benzoic acid Openeye Name: 2-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)amino]benzoic acid CAS Name: 2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)amino]benzoic acid IUPAC Name: 2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]benzoic acid Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)amino]benzoic acid Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NC3=CC=CC=C3C(=O)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NC3=CC=CC=C3C(=O)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H15N5O4/c1-18-10-11(19(2)15(24)20(3)12(10)21)17-14(18)16-9-7-5-4-6-8(9)13(22)23/h4-7H,1-3H3,(H,16,17)(H,22,23)