2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-3H-purin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-3H-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-(7-but-2-ynyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylic acid CAS Name: 2-(7-but-2-ynyl-2,6-dioxo-3H-purin-8-yl)-1-piperazinecarboxylic acid IUPAC Name: 2-(7-but-2-ynyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylic acid Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-3H-purin-8-yl)piperazine-1-carboxylic acid Formula: C14H16N6O4 MolecularWeight: 332.31464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NC2=C1C(=O)NC(=O)N2)C3CNCCN3C(=O)O

Isomeric SMILES

CC#CCN1C(=NC2=C1C(=O)NC(=O)N2)C3CNCCN3C(=O)O

InChI

InChI=1S/C14H16N6O4/c1-2-3-5-20-9-10(17-13(22)18-12(9)21)16-11(20)8-7-15-4-6-19(8)14(23)24/h8,15H,4-7H2,1H3,(H,23,24)(H2,17,18,21,22)