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

Systemtic Name: 2-(7-but-2-ynyl-9-methyl-8-oxidanylidene-purin-6-yl)-2-chloranyl-piperazine-1-carboxylic acid Openeye Name: 2-(7-but-2-ynyl-9-methyl-8-oxo-purin-6-yl)-2-chloro-piperazine-1-carboxylic acid CAS Name: 2-(7-but-2-ynyl-9-methyl-8-oxo-6-purinyl)-2-chloro-1-piperazinecarboxylic acid IUPAC Name: 2-(7-but-2-ynyl-9-methyl-8-oxopurin-6-yl)-2-chloropiperazine-1-carboxylic acid Traditional Name: 2-(7-but-2-ynyl-8-keto-9-methyl-purin-6-yl)-2-chloro-piperazine-1-carboxylic acid Formula: C15H17ClN6O3 MolecularWeight: 364.78688

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2N(C1=O)C)C3(CNCCN3C(=O)O)Cl

Isomeric SMILES

CC#CCN1C2=C(N=CN=C2N(C1=O)C)C3(CNCCN3C(=O)O)Cl

InChI

InChI=1S/C15H17ClN6O3/c1-3-4-6-21-10-11(18-9-19-12(10)20(2)13(21)23)15(16)8-17-5-7-22(15)14(24)25/h9,17H,5-8H2,1-2H3,(H,24,25)