2-(6-fluoranylbenzimidazol-1-yl)-9-(4-oxidanylcyclohexyl)-3,7-dihydropurine-6,8-dione

Systemtic Name: 2-(6-fluoranylbenzimidazol-1-yl)-9-(4-oxidanylcyclohexyl)-3,7-dihydropurine-6,8-dione Openeye Name: 2-(6-fluorobenzimidazol-1-yl)-9-(4-hydroxycyclohexyl)-3,7-dihydropurine-6,8-dione CAS Name: 2-(6-fluoro-1-benzimidazolyl)-9-(4-hydroxycyclohexyl)-3,7-dihydropurine-6,8-dione IUPAC Name: 2-(6-fluorobenzimidazol-1-yl)-9-(4-hydroxycyclohexyl)-3,7-dihydropurine-6,8-dione Traditional Name: 2-(6-fluorobenzimidazol-1-yl)-9-(4-hydroxycyclohexyl)-3,7-dihydropurine-6,8-quinone Formula: C18H17FN6O3 MolecularWeight: 384.364383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C3=C(C(=O)N=C(N3)N4C=NC5=C4C=C(C=C5)F)NC2=O)O

Isomeric SMILES

C1CC(CCC1N2C3=C(C(=O)N=C(N3)N4C=NC5=C4C=C(C=C5)F)NC2=O)O

InChI

InChI=1S/C18H17FN6O3/c19-9-1-6-12-13(7-9)24(8-20-12)17-22-15-14(16(27)23-17)21-18(28)25(15)10-2-4-11(26)5-3-10/h1,6-8,10-11,26H,2-5H2,(H,21,28)(H,22,23,27)