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

Systemtic Name: 1-ethyl-8-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-ethyl-8-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,7-dihydropurine-2,6-dione CAS Name: 1-ethyl-8-[4-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]phenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-ethyl-8-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-ethyl-8-[4-[4-(4-methoxyphenyl)piperazino]sulfonylphenyl]-7H-xanthine Formula: C24H26N6O5S MolecularWeight: 510.56544

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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)C5=CC=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O5S/c1-3-30-23(31)20-22(27-24(30)32)26-21(25-20)16-4-10-19(11-5-16)36(33,34)29-14-12-28(13-15-29)17-6-8-18(35-2)9-7-17/h4-11H,3,12-15H2,1-2H3,(H,25,26)(H,27,32)