3-[2-(methylamino)-6-oxidanylidene-3H-purin-9-yl]propanoic acid

Systemtic Name: 3-[2-(methylamino)-6-oxidanylidene-3H-purin-9-yl]propanoic acid Openeye Name: 3-[2-(methylamino)-6-oxo-3H-purin-9-yl]propanoic acid CAS Name: 3-[2-(methylamino)-6-oxo-3H-purin-9-yl]propanoic acid IUPAC Name: 3-[2-(methylamino)-6-oxo-3H-purin-9-yl]propanoic acid Traditional Name: 3-[6-keto-2-(methylamino)-3H-purin-9-yl]propionic acid Formula: C9H11N5O3 MolecularWeight: 237.21534

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=O)C2=C(N1)N(C=N2)CCC(=O)O

Isomeric SMILES

CNC1=NC(=O)C2=C(N1)N(C=N2)CCC(=O)O

InChI

InChI=1S/C9H11N5O3/c1-10-9-12-7-6(8(17)13-9)11-4-14(7)3-2-5(15)16/h4H,2-3H2,1H3,(H,15,16)(H2,10,12,13,17)