8-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C16H16N6O2/c1-21-14-13(15(23)22(2)16(21)24)19-12(20-14)8-7-11-17-9-5-3-4-6-10(9)18-11/h3-6H,7-8H2,1-2H3,(H,17,18)(H,19,20)