8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[4-[(2,5-dimethylphenyl)methyl]-1-piperazinyl]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[4-(2,5-dimethylbenzyl)piperazino]-3-methyl-xanthine Formula: C24H34N6O2 MolecularWeight: 438.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCN(CC3)CC4=C(C=CC(=C4)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCN(CC3)CC4=C(C=CC(=C4)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H34N6O2/c1-5-6-7-10-30-20-21(27(4)24(32)26-22(20)31)25-23(30)29-13-11-28(12-14-29)16-19-15-17(2)8-9-18(19)3/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,26,31,32)