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

Systemtic Name: 8-[3-(1H-benzimidazol-2-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[3-(1H-benzimidazol-2-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[3-(1H-benzimidazol-2-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[3-(1H-benzimidazol-2-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[3-(1H-benzimidazol-2-yl)propyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H18N6O2/c1-22-15-14(16(24)23(2)17(22)25)20-13(21-15)9-5-8-12-18-10-6-3-4-7-11(10)19-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,19)(H,20,21)