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4-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]benzoic acid

4-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]benzoic acid

Systemtic Name:4-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]benzoic acid
Openeye Name:4-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)methylamino]benzoic acid
CAS Name:4-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)methylamino]benzoic acid
IUPAC Name:4-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methylamino]benzoic acid
Traditional Name:4-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)methylamino]benzoic acid
Formula: C16H17N5O4
MolecularWeight: 343.33728
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CNC3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CNC3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C16H17N5O4/c1-19-11(8-17-10-6-4-9(5-7-10)15(23)24)18-13-12(19)14(22)21(3)16(25)20(13)2/h4-7,17H,8H2,1-3H3,(H,23,24)


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