3-methyl-7-[(3-methylphenyl)methyl]-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-phenethyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(4-phenethylpiperazino)xanthine Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CCC5=CC=CC=C5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)CCC5=CC=CC=C5)N(C(=O)NC3=O)C

InChI

InChI=1S/C26H30N6O2/c1-19-7-6-10-21(17-19)18-32-22-23(29(2)26(34)28-24(22)33)27-25(32)31-15-13-30(14-16-31)12-11-20-8-4-3-5-9-20/h3-10,17H,11-16,18H2,1-2H3,(H,28,33,34)