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

Systemtic Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-(2-methylbutyl)-7H-purine-2,6-dione Openeye Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-(2-methylbutyl)-7H-purine-2,6-dione CAS Name: 8-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-3-(2-methylbutyl)-7H-purine-2,6-dione IUPAC Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-(2-methylbutyl)-7H-purine-2,6-dione Traditional Name: 8-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-methyl-3-(2-methylbutyl)-7H-purine-2,6-quinone Formula: C24H34N6O5S MolecularWeight: 518.62896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

Isomeric SMILES

CCC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

InChI

InChI=1S/C24H34N6O5S/c1-6-16(3)15-30-22-20(23(31)28(5)24(30)32)25-21(26-22)18-14-17(8-9-19(18)35-7-2)36(33,34)29-12-10-27(4)11-13-29/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26)