8-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[4-(4-piperonylpiperazino)sulfonylphenyl]-1-propyl-7H-xanthine Formula: C26H28N6O6S MolecularWeight: 552.60212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H28N6O6S/c1-2-9-32-25(33)22-24(29-26(32)34)28-23(27-22)18-4-6-19(7-5-18)39(35,36)31-12-10-30(11-13-31)15-17-3-8-20-21(14-17)38-16-37-20/h3-8,14H,2,9-13,15-16H2,1H3,(H,27,28)(H,29,34)