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

Systemtic Name: 1-ethyl-8-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 8-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-1-ethyl-3,7-dihydropurine-2,6-dione CAS Name: 1-ethyl-8-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-1-ethyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[4-(4-benzylpiperazino)sulfonylphenyl]-1-ethyl-7H-xanthine Formula: C24H26N6O4S MolecularWeight: 494.56604

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)