1-[4-[4-[9-(2,4-dimethylphenyl)purin-6-yl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[9-(2,4-dimethylphenyl)purin-6-yl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[9-(2,4-dimethylphenyl)purin-6-yl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[9-(2,4-dimethylphenyl)-6-purinyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[9-(2,4-dimethylphenyl)purin-6-yl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[9-(2,4-dimethylphenyl)purin-6-yl]piperazino]phenyl]ethanone Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NC3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NC3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)C(=O)C)C

InChI

InChI=1S/C25H26N6O/c1-17-4-9-22(18(2)14-17)31-16-28-23-24(26-15-27-25(23)31)30-12-10-29(11-13-30)21-7-5-20(6-8-21)19(3)32/h4-9,14-16H,10-13H2,1-3H3