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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)(C)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)(C)C)C

InChI

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