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

Systemtic Name: 8-[4-(4-phenethylpiperazin-1-yl)sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[4-(4-phenethylpiperazin-1-yl)sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[4-[(4-phenethyl-1-piperazinyl)sulfonyl]phenyl]-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[4-(4-phenethylpiperazin-1-yl)sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[4-(4-phenethylpiperazino)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)CCC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O4S/c1-2-13-32-25(33)22-24(29-26(32)34)28-23(27-22)20-8-10-21(11-9-20)37(35,36)31-17-15-30(16-18-31)14-12-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,27,28)(H,29,34)