2-(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl)-1-methyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl)-1-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)-1-methyl-pyrrolidine-2-carboxylic acid CAS Name: 2-[7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-3H-purin-2-yl]-1-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)-1-methylpyrrolidine-2-carboxylic acid Traditional Name: 2-(7-but-2-ynyl-6-keto-8-piperazino-3H-purin-2-yl)-1-methyl-proline Formula: C19H25N7O3 MolecularWeight: 399.4469

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=NC2=O)C3(CCCN3C)C(=O)O)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(NC(=NC2=O)C3(CCCN3C)C(=O)O)N=C1N4CCNCC4

InChI

InChI=1S/C19H25N7O3/c1-3-4-10-26-13-14(22-18(26)25-11-7-20-8-12-25)21-16(23-15(13)27)19(17(28)29)6-5-9-24(19)2/h20H,5-12H2,1-2H3,(H,28,29)(H,21,23,27)