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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1OC(=O)N3CCNCC3)N=C(N(C2=O)C)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1OC(=O)N3CCNCC3)N=C(N(C2=O)C)Cl

InChI

InChI=1S/C15H17ClN6O3/c1-3-4-7-22-10-11(18-13(16)20(2)12(10)23)19-14(22)25-15(24)21-8-5-17-6-9-21/h17H,5-9H2,1-2H3