7-ethyl-1-[(4-methylphenyl)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-[(4-methylphenyl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 7-ethyl-1-[(4-methylphenyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-(4-methylbenzyl)xanthine Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C22H22N4O2/c1-3-24-15-23-20-19(24)21(27)26(14-18-11-9-16(2)10-12-18)22(28)25(20)13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3