3-butyl-8-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione Openeye Name: 8-[3-(4-acetylpiperazin-1-yl)-3-oxo-propyl]-3-butyl-7-pentyl-purine-2,6-dione CAS Name: 8-[3-(4-acetyl-1-piperazinyl)-3-oxopropyl]-3-butyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-butyl-7-pentylpurine-2,6-dione Traditional Name: 8-[3-(4-acetylpiperazino)-3-keto-propyl]-7-amyl-3-butyl-xanthine Formula: C23H36N6O4 MolecularWeight: 460.56974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H36N6O4/c1-4-6-8-12-28-18(9-10-19(31)27-15-13-26(14-16-27)17(3)30)24-21-20(28)22(32)25-23(33)29(21)11-7-5-2/h4-16H2,1-3H3,(H,25,32,33)