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

Systemtic Name: 8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-ethyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-ethyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[4-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]phenyl]-1-ethyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-ethyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[4-[4-(4-chlorophenyl)piperazino]sulfonylphenyl]-1-ethyl-7H-xanthine Formula: C23H23ClN6O4S MolecularWeight: 514.98452

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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)Cl

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)Cl

InChI

InChI=1S/C23H23ClN6O4S/c1-2-30-22(31)19-21(27-23(30)32)26-20(25-19)15-3-9-18(10-4-15)35(33,34)29-13-11-28(12-14-29)17-7-5-16(24)6-8-17/h3-10H,2,11-14H2,1H3,(H,25,26)(H,27,32)