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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N6O5S/c1-16(2)14-31-23-21(24(32)29(6)25(31)33)26-22(27-23)19-13-18(7-8-20(19)36-15-17(3)4)37(34,35)30-11-9-28(5)10-12-30/h7-8,13,16-17H,9-12,14-15H2,1-6H3,(H,26,27)