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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C15H15N5O4/c1-19-11-10(12(21)20(2)15(19)24)17-14(18-11)16-7-8-5-3-4-6-9(8)13(22)23/h3-6H,7H2,1-2H3,(H,22,23)(H2,16,17,18)