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

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

Systemtic Name:8-[8-(1H-benzimidazol-2-yl)octyl]-1,3-dimethyl-7H-purine-2,6-dione
Openeye Name:8-[8-(1H-benzimidazol-2-yl)octyl]-1,3-dimethyl-7H-purine-2,6-dione
CAS Name:8-[8-(1H-benzimidazol-2-yl)octyl]-1,3-dimethyl-7H-purine-2,6-dione
IUPAC Name:8-[8-(1H-benzimidazol-2-yl)octyl]-1,3-dimethyl-7H-purine-2,6-dione
Traditional Name:8-[8-(1H-benzimidazol-2-yl)octyl]-1,3-dimethyl-7H-purine-2,6-quinone
Formula: C22H28N6O2
MolecularWeight: 408.49672
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCCCCCC3=NC4=CC=CC=C4N3


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCCCCCC3=NC4=CC=CC=C4N3


InChI

InChI=1S/C22H28N6O2/c1-27-20-19(21(29)28(2)22(27)30)25-18(26-20)14-8-6-4-3-5-7-13-17-23-15-11-9-10-12-16(15)24-17/h9-12H,3-8,13-14H2,1-2H3,(H,23,24)(H,25,26)


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