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

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C25H32N6O5 MolecularWeight: 496.55878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=C(C=CC(=C4)OC)OC)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=C(C=CC(=C4)OC)OC)C)C

InChI

InChI=1S/C25H32N6O5/c1-16(2)8-11-30-21-22(27-24(30)29-12-9-26-10-13-29)28(3)25(34)31(23(21)33)15-19(32)18-14-17(35-4)6-7-20(18)36-5/h6-8,14,26H,9-13,15H2,1-5H3