1-butyl-8-[4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethoxy]phenyl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-butyl-8-[4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethoxy]phenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 8-[4-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethoxy]phenyl]-1-butyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[4-[2-(4-acetyl-1-piperazinyl)-2-oxoethoxy]phenyl]-1-butyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]phenyl]-1-butyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[4-[2-(4-acetylpiperazino)-2-keto-ethoxy]phenyl]-1-butyl-7H-xanthine Formula: C23H28N6O5 MolecularWeight: 468.50562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)OCC(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)OCC(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C23H28N6O5/c1-3-4-9-29-22(32)19-21(26-23(29)33)25-20(24-19)16-5-7-17(8-6-16)34-14-18(31)28-12-10-27(11-13-28)15(2)30/h5-8H,3-4,9-14H2,1-2H3,(H,24,25)(H,26,33)