1,3-dimethyl-7-[[1-(phenylmethyl)imidazol-2-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[1-(phenylmethyl)imidazol-2-yl]methyl]purine-2,6-dione Openeye Name: 7-[(1-benzylimidazol-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[1-(phenylmethyl)-2-imidazolyl]methyl]purine-2,6-dione IUPAC Name: 7-[(1-benzylimidazol-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1-benzylimidazol-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C18H18N6O2/c1-21-16-15(17(25)22(2)18(21)26)24(12-20-16)11-14-19-8-9-23(14)10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3