2-[2-azanyl-3-[2,6-bis(oxidanylidene)-3H-purin-9-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[2-azanyl-3-[2,6-bis(oxidanylidene)-3H-purin-9-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]cyclopropane-1-carboxylic acid Openeye Name: 2-[1-amino-1-[(2,6-dioxo-3H-purin-9-yl)methyl]-2-hydroxy-2-oxo-ethyl]cyclopropanecarboxylic acid CAS Name: 2-[2-amino-3-(2,6-dioxo-3H-purin-9-yl)-1-hydroxy-1-oxopropan-2-yl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[2-amino-3-(2,6-dioxo-3H-purin-9-yl)-1-hydroxy-1-oxopropan-2-yl]cyclopropane-1-carboxylic acid Traditional Name: 2-[1-amino-1-[(2,6-diketo-3H-purin-9-yl)methyl]-2-hydroxy-2-keto-ethyl]cyclopropanecarboxylic acid Formula: C12H13N5O6 MolecularWeight: 323.26152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(CN2C=NC3=C2NC(=O)NC3=O)(C(=O)O)N)C(=O)O

Isomeric SMILES

C1C(C1C(CN2C=NC3=C2NC(=O)NC3=O)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C12H13N5O6/c13-12(10(21)22,5-1-4(5)9(19)20)2-17-3-14-6-7(17)15-11(23)16-8(6)18/h3-5H,1-2,13H2,(H,19,20)(H,21,22)(H2,15,16,18,23)