tert-butyl 4-ethanoyl-2-[8-(1-piperazin-1-ylpiperazin-2-yl)purin-9-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-ethanoyl-2-[8-(1-piperazin-1-ylpiperazin-2-yl)purin-9-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-acetyl-2-[8-(1-piperazin-1-ylpiperazin-2-yl)purin-9-yl]piperazine-1-carboxylate CAS Name: 4-acetyl-2-[8-[1-(1-piperazinyl)-2-piperazinyl]-9-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetyl-2-[8-(1-piperazin-1-ylpiperazin-2-yl)purin-9-yl]piperazine-1-carboxylate Traditional Name: 4-acetyl-2-[8-(1-piperazinopiperazin-2-yl)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=CN=CN=C32)C4CNCCN4N5CCNCC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N1CCN(C(C1)N2C(=NC3=CN=CN=C32)C4CNCCN4N5CCNCC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H38N10O3/c1-17(35)30-11-12-32(23(36)37-24(2,3)4)20(15-30)34-21-18(13-27-16-28-21)29-22(34)19-14-26-7-10-33(19)31-8-5-25-6-9-31/h13,16,19-20,25-26H,5-12,14-15H2,1-4H3