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

Systemtic Name: 1-butyl-8-[4-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethoxy]phenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-butyl-8-[4-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethoxy]phenyl]-3,7-dihydropurine-2,6-dione CAS Name: 1-butyl-8-[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy]phenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-butyl-8-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-butyl-8-[4-[2-(4-ethylpiperazino)-2-keto-ethoxy]phenyl]-7H-xanthine Formula: C23H30N6O4 MolecularWeight: 454.5221

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O4/c1-3-5-10-29-22(31)19-21(26-23(29)32)25-20(24-19)16-6-8-17(9-7-16)33-15-18(30)28-13-11-27(4-2)12-14-28/h6-9H,3-5,10-15H2,1-2H3,(H,24,25)(H,26,32)