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

Systemtic Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-[4-(2-methylprop-2-enyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-[4-(2-methylallyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-[4-(2-methylprop-2-enyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-[4-(2-methylprop-2-enyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(2,5-dimethylbenzyl)-3-methyl-8-[4-(2-methylallyl)piperazino]xanthine Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(N=C2N4CCN(CC4)CC(=C)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(N=C2N4CCN(CC4)CC(=C)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C23H30N6O2/c1-15(2)13-27-8-10-28(11-9-27)22-24-20-19(21(30)25-23(31)26(20)5)29(22)14-18-12-16(3)6-7-17(18)4/h6-7,12H,1,8-11,13-14H2,2-5H3,(H,25,30,31)