4-[3-[6-(dimethylamino)purin-9-yl]propanoylamino]benzoic acid

Systemtic Name: 4-[3-[6-(dimethylamino)purin-9-yl]propanoylamino]benzoic acid Openeye Name: 4-[3-[6-(dimethylamino)purin-9-yl]propanoylamino]benzoic acid CAS Name: 4-[[3-[6-(dimethylamino)-9-purinyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[6-(dimethylamino)purin-9-yl]propanoylamino]benzoic acid Traditional Name: 4-[3-[6-(dimethylamino)purin-9-yl]propanoylamino]benzoic acid Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2CCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2CCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H18N6O3/c1-22(2)15-14-16(19-9-18-15)23(10-20-14)8-7-13(24)21-12-5-3-11(4-6-12)17(25)26/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,25,26)