methyl (2R)-1-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R)-1-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)pyrrolidine-2-carboxylate Openeye Name: methyl (2R)-1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)pyrrolidine-2-carboxylate Traditional Name: (2R)-1-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)pyrrolidine-2-carboxylic acid methyl ester Formula: C20H27N7O3 MolecularWeight: 413.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)N3CCCC3C(=O)OC)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)N3CCC[C@@H]3C(=O)OC)N=C1N4CCNCC4

InChI

InChI=1S/C20H27N7O3/c1-4-5-10-27-15-16(23-20(27)25-12-8-21-9-13-25)22-19(24(2)17(15)28)26-11-6-7-14(26)18(29)30-3/h14,21H,6-13H2,1-3H3/t14-/m1/s1