7-(1H-benzimidazol-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(1H-benzimidazol-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(1H-benzimidazol-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(1H-benzimidazol-2-ylmethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(1H-benzimidazol-2-ylmethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(1H-benzimidazol-2-ylmethyl)-1,3-dimethyl-xanthine Formula: C15H14N6O2 MolecularWeight: 310.31066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C15H14N6O2/c1-19-13-12(14(22)20(2)15(19)23)21(8-16-13)7-11-17-9-5-3-4-6-10(9)18-11/h3-6,8H,7H2,1-2H3,(H,17,18)