8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-hexyl-1-methyl-7H-purine-2,6-dione

Systemtic Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-hexyl-1-methyl-7H-purine-2,6-dione Openeye Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-hexyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-hexyl-1-methyl-7H-purine-2,6-dione IUPAC Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-hexyl-1-methyl-7H-purine-2,6-dione Traditional Name: 8-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-hexyl-1-methyl-7H-purine-2,6-quinone Formula: C25H36N6O5S MolecularWeight: 532.65554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

Isomeric SMILES

CCCCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

InChI

InChI=1S/C25H36N6O5S/c1-5-7-8-9-12-31-23-21(24(32)29(4)25(31)33)26-22(27-23)19-17-18(10-11-20(19)36-6-2)37(34,35)30-15-13-28(3)14-16-30/h10-11,17H,5-9,12-16H2,1-4H3,(H,26,27)