1-tert-butyl-3,7-dimethyl-8-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-tert-butyl-3,7-dimethyl-8-(phenylmethyl)purine-2,6-dione Openeye Name: 8-benzyl-1-tert-butyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-tert-butyl-3,7-dimethyl-8-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-benzyl-1-tert-butyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-benzyl-1-tert-butyl-3,7-dimethyl-xanthine Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(N=C(N2C)CC3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(N=C(N2C)CC3=CC=CC=C3)N(C1=O)C

InChI

InChI=1S/C18H22N4O2/c1-18(2,3)22-16(23)14-15(21(5)17(22)24)19-13(20(14)4)11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3