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

Systemtic Name: 1-butyl-8-[4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-butyl-8-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-3,7-dihydropurine-2,6-dione CAS Name: 1-butyl-8-[4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]phenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-butyl-8-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-butyl-8-[4-[2-keto-2-(4-phenylpiperazino)ethoxy]phenyl]-7H-xanthine Formula: C27H30N6O4 MolecularWeight: 502.5649

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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)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N6O4/c1-2-3-13-33-26(35)23-25(30-27(33)36)29-24(28-23)19-9-11-21(12-10-19)37-18-22(34)32-16-14-31(15-17-32)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,28,29)(H,30,36)