8-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-purine-2,6-dione

Systemtic Name: 8-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-purine-2,6-dione Openeye Name: 8-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-1-propyl-purine-2,6-dione CAS Name: 8-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1-propylpurine-2,6-dione IUPAC Name: 8-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-1-propylpurine-2,6-dione Traditional Name: 8-[4-(4-benzylpiperazino)sulfonylphenyl]-1-propyl-xanthine Formula: C25H26N6O4S MolecularWeight: 506.57674

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=NC(=NC2=NC1=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=NC(=NC2=NC1=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3