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

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

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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)OC(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)OC(C)C

InChI

InChI=1S/C24H34N6O5S/c1-15(2)14-30-22-20(23(31)28(6)24(30)32)25-21(26-22)18-13-17(7-8-19(18)35-16(3)4)36(33,34)29-11-9-27(5)10-12-29/h7-8,13,15-16H,9-12,14H2,1-6H3,(H,25,26)