2-(7-but-2-ynyl-8-oxidanylidene-9H-purin-6-yl)piperazine-1-carboxylic acid

Systemtic Name: 2-(7-but-2-ynyl-8-oxidanylidene-9H-purin-6-yl)piperazine-1-carboxylic acid Openeye Name: 2-(7-but-2-ynyl-8-oxo-9H-purin-6-yl)piperazine-1-carboxylic acid CAS Name: 2-(7-but-2-ynyl-8-oxo-9H-purin-6-yl)-1-piperazinecarboxylic acid IUPAC Name: 2-(7-but-2-ynyl-8-oxo-9H-purin-6-yl)piperazine-1-carboxylic acid Traditional Name: 2-(7-but-2-ynyl-8-keto-9H-purin-6-yl)piperazine-1-carboxylic acid Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2NC1=O)C3CNCCN3C(=O)O

Isomeric SMILES

CC#CCN1C2=C(N=CN=C2NC1=O)C3CNCCN3C(=O)O

InChI

InChI=1S/C14H16N6O3/c1-2-3-5-20-11-10(16-8-17-12(11)18-13(20)21)9-7-15-4-6-19(9)14(22)23/h8-9,15H,4-7H2,1H3,(H,22,23)(H,16,17,18,21)