8-[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-propyl-8-[4-[4-(p-tolylmethyl)piperazin-1-yl]sulfonylphenyl]-3,7-dihydropurine-2,6-dione CAS Name: 8-[4-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[4-[4-(4-methylbenzyl)piperazino]sulfonylphenyl]-1-propyl-7H-xanthine Formula: C26H30N6O4S MolecularWeight: 522.6192

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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=CC=C(C=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O4S/c1-3-12-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-15-13-30(14-16-31)17-19-6-4-18(2)5-7-19/h4-11H,3,12-17H2,1-2H3,(H,27,28)(H,29,34)