9-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione

Systemtic Name: 9-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione Openeye Name: 9-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione CAS Name: 9-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)-8H-purine-2,6-dione IUPAC Name: 9-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-8H-purine-2,6-dione Traditional Name: 9-[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-8H-purine-2,6-quinone Formula: C25H34N6O5 MolecularWeight: 498.57466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(N(C2=C1C(=O)NC(=O)N2C)CC(=O)C3=C(C=CC(=C3)OC)OC)N4CCNCC4)C

Isomeric SMILES

CC(=CCN1C(N(C2=C1C(=O)NC(=O)N2C)CC(=O)C3=C(C=CC(=C3)OC)OC)N4CCNCC4)C

InChI

InChI=1S/C25H34N6O5/c1-16(2)8-11-30-21-22(33)27-24(34)28(3)23(21)31(25(30)29-12-9-26-10-13-29)15-19(32)18-14-17(35-4)6-7-20(18)36-5/h6-8,14,25-26H,9-13,15H2,1-5H3,(H,27,33,34)