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

Systemtic Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2,5-dimethylbenzyl)-3-methyl-8-piperazino-xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H24N6O2/c1-12-4-5-13(2)14(10-12)11-25-15-16(23(3)19(27)22-17(15)26)21-18(25)24-8-6-20-7-9-24/h4-5,10,20H,6-9,11H2,1-3H3,(H,22,26,27)