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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-[(4-tert-butylphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-[(4-tert-butylphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-1-(4-tert-butylbenzyl)-3-methyl-xanthine Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)C

InChI

InChI=1S/C24H26N4O2/c1-24(2,3)19-12-10-18(11-13-19)15-28-22(29)20-21(26(4)23(28)30)25-16-27(20)14-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3