3-[2-azanyl-9-(2-carboxyethyl)-6-oxidanylidene-3,8-dihydropurin-7-yl]propanoic acid

Systemtic Name: 3-[2-azanyl-9-(2-carboxyethyl)-6-oxidanylidene-3,8-dihydropurin-7-yl]propanoic acid Openeye Name: 3-[2-amino-9-(2-carboxyethyl)-6-oxo-3,8-dihydropurin-7-yl]propanoic acid CAS Name: 3-[2-amino-9-(2-carboxyethyl)-6-oxo-3,8-dihydropurin-7-yl]propanoic acid IUPAC Name: 3-[2-amino-9-(2-carboxyethyl)-6-oxo-3,8-dihydropurin-7-yl]propanoic acid Traditional Name: 3-[2-amino-9-(2-carboxyethyl)-6-keto-3,8-dihydropurin-7-yl]propionic acid Formula: C11H15N5O5 MolecularWeight: 297.2673

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=C(N1CCC(=O)O)NC(=NC2=O)N)CCC(=O)O

Isomeric SMILES

C1N(C2=C(N1CCC(=O)O)NC(=NC2=O)N)CCC(=O)O

InChI

InChI=1S/C11H15N5O5/c12-11-13-9-8(10(21)14-11)15(3-1-6(17)18)5-16(9)4-2-7(19)20/h1-5H2,(H,17,18)(H,19,20)(H3,12,13,14,21)