2-[2-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)ethyl]propanedioic acid

Systemtic Name: 2-[2-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)ethyl]propanedioic acid Openeye Name: 2-[2-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)ethyl]propanedioic acid CAS Name: 2-[2-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)ethyl]propanedioic acid IUPAC Name: 2-[2-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)ethyl]propanedioic acid Traditional Name: 2-[2-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)ethyl]malonic acid Formula: C10H13N5O5 MolecularWeight: 283.24072

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCC(C(=O)O)C(=O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1CCC(C(=O)O)C(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H13N5O5/c11-10-13-6-5(7(16)14-10)12-3-15(6)2-1-4(8(17)18)9(19)20/h4,12H,1-3H2,(H,17,18)(H,19,20)(H3,11,13,14,16)