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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[4-(2-phenylethanoyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-[4-(2-phenylacetyl)piperazin-1-yl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[4-(2-phenylacetyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-[4-(2-phenylacetyl)piperazino]xanthine Formula: C27H30N6O3 MolecularWeight: 486.5655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)CC5=CC=CC=C5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)CC5=CC=CC=C5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C27H30N6O3/c1-19-8-7-11-21(16-19)18-33-23-24(29(2)27(36)30(3)25(23)35)28-26(33)32-14-12-31(13-15-32)22(34)17-20-9-5-4-6-10-20/h4-11,16H,12-15,17-18H2,1-3H3