3-(2,6-dimethylphenyl)-7-[(3-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 3-(2,6-dimethylphenyl)-7-[(3-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-(2,6-dimethylphenyl)-7-(m-tolylmethyl)-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 3-(2,6-dimethylphenyl)-7-[(3-methylphenyl)methyl]-1-(2-oxolanylmethyl)purine-2,6-dione IUPAC Name: 3-(2,6-dimethylphenyl)-7-[(3-methylphenyl)methyl]-1-(oxolan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-(2,6-dimethylphenyl)-7-(3-methylbenzyl)-1-(tetrahydrofurfuryl)xanthine Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=C(C=CC=C4C)C)CC5CCCO5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=C(C=CC=C4C)C)CC5CCCO5

InChI

InChI=1S/C26H28N4O3/c1-17-7-4-10-20(13-17)14-28-16-27-24-23(28)25(31)29(15-21-11-6-12-33-21)26(32)30(24)22-18(2)8-5-9-19(22)3/h4-5,7-10,13,16,21H,6,11-12,14-15H2,1-3H3