1-ethyl-8-[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-ethyl-8-[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-ethyl-8-[4-[4-(p-tolylmethyl)piperazin-1-yl]sulfonylphenyl]-3,7-dihydropurine-2,6-dione CAS Name: 1-ethyl-8-[4-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-ethyl-8-[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-ethyl-8-[4-[4-(4-methylbenzyl)piperazino]sulfonylphenyl]-7H-xanthine Formula: C25H28N6O4S MolecularWeight: 508.59262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=C(C=C5)C

Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=C(C=C5)C

InChI

InChI=1S/C25H28N6O4S/c1-3-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-14-12-29(13-15-30)16-18-6-4-17(2)5-7-18/h4-11H,3,12-16H2,1-2H3,(H,26,27)(H,28,33)