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

Systemtic Name: 2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-3H-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylic acid CAS Name: 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)-1-piperazinecarboxylic acid IUPAC Name: 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylic acid Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-methyl-3H-purin-8-yl)piperazine-1-carboxylic acid Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NC2=C1C(=O)N(C(=O)N2)C)C3CNCCN3C(=O)O

Isomeric SMILES

CC#CCN1C(=NC2=C1C(=O)N(C(=O)N2)C)C3CNCCN3C(=O)O

InChI

InChI=1S/C15H18N6O4/c1-3-4-6-21-10-11(18-14(23)19(2)13(10)22)17-12(21)9-8-16-5-7-20(9)15(24)25/h9,16H,5-8H2,1-2H3,(H,18,23)(H,24,25)