tert-butyl 2-[2,6-di(piperazin-1-yl)purin-9-yl]-4-ethanoyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[2,6-di(piperazin-1-yl)purin-9-yl]-4-ethanoyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-acetyl-2-[2,6-di(piperazin-1-yl)purin-9-yl]piperazine-1-carboxylate CAS Name: 4-acetyl-2-[2,6-bis(1-piperazinyl)-9-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetyl-2-[2,6-di(piperazin-1-yl)purin-9-yl]piperazine-1-carboxylate Traditional Name: 4-acetyl-2-[2,6-di(piperazino)purin-9-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H38N10O3 MolecularWeight: 514.62372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)N2C=NC3=C2N=C(N=C3N4CCNCC4)N5CCNCC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N1CCN(C(C1)N2C=NC3=C2N=C(N=C3N4CCNCC4)N5CCNCC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H38N10O3/c1-17(35)32-13-14-33(23(36)37-24(2,3)4)18(15-32)34-16-27-19-20(30-9-5-25-6-10-30)28-22(29-21(19)34)31-11-7-26-8-12-31/h16,18,25-26H,5-15H2,1-4H3