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

Systemtic Name: 8-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[4-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[4-(4-p-anisylpiperazino)sulfonylphenyl]-1-propyl-7H-xanthine Formula: C26H30N6O5S MolecularWeight: 538.6186

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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)OC

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)OC

InChI

InChI=1S/C26H30N6O5S/c1-3-12-32-25(33)22-24(29-26(32)34)28-23(27-22)19-6-10-21(11-7-19)38(35,36)31-15-13-30(14-16-31)17-18-4-8-20(37-2)9-5-18/h4-11H,3,12-17H2,1-2H3,(H,27,28)(H,29,34)