8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[4-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]phenyl]-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[4-[4-(4-chlorophenyl)piperazino]sulfonylphenyl]-1-propargyl-7H-xanthine Formula: C24H21ClN6O4S MolecularWeight: 524.97934

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H21ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h1,3-10H,11-15H2,(H,26,27)(H,28,33)