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

Systemtic Name: 2-(7-but-2-ynyl-8-oxidanylidene-9H-purin-6-yl)-2-chloranyl-piperazine-1-carboxylic acid Openeye Name: 2-(7-but-2-ynyl-8-oxo-9H-purin-6-yl)-2-chloro-piperazine-1-carboxylic acid CAS Name: 2-(7-but-2-ynyl-8-oxo-9H-purin-6-yl)-2-chloro-1-piperazinecarboxylic acid IUPAC Name: 2-(7-but-2-ynyl-8-oxo-9H-purin-6-yl)-2-chloropiperazine-1-carboxylic acid Traditional Name: 2-(7-but-2-ynyl-8-keto-9H-purin-6-yl)-2-chloro-piperazine-1-carboxylic acid Formula: C14H15ClN6O3 MolecularWeight: 350.7603

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2NC1=O)C3(CNCCN3C(=O)O)Cl

Isomeric SMILES

CC#CCN1C2=C(N=CN=C2NC1=O)C3(CNCCN3C(=O)O)Cl

InChI

InChI=1S/C14H15ClN6O3/c1-2-3-5-20-9-10(17-8-18-11(9)19-12(20)22)14(15)7-16-4-6-21(14)13(23)24/h8,16H,4-7H2,1H3,(H,23,24)(H,17,18,19,22)