3-[[6-(dimethylamino)-9-methyl-purin-8-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[6-(dimethylamino)-9-methyl-purin-8-yl]carbonylamino]propanoic acid Openeye Name: 3-[[6-(dimethylamino)-9-methyl-purine-8-carbonyl]amino]propanoic acid CAS Name: 3-[[[6-(dimethylamino)-9-methyl-8-purinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[6-(dimethylamino)-9-methylpurine-8-carbonyl]amino]propanoic acid Traditional Name: 3-[[6-(dimethylamino)-9-methyl-purine-8-carbonyl]amino]propionic acid Formula: C12H16N6O3 MolecularWeight: 292.29384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)N(C)C)N=C1C(=O)NCCC(=O)O

Isomeric SMILES

CN1C2=C(C(=NC=N2)N(C)C)N=C1C(=O)NCCC(=O)O

InChI

InChI=1S/C12H16N6O3/c1-17(2)9-8-10(15-6-14-9)18(3)11(16-8)12(21)13-5-4-7(19)20/h6H,4-5H2,1-3H3,(H,13,21)(H,19,20)