9-ethyl-3-[4-(4-fluorophenyl)-1-methyl-benzimidazol-2-yl]-7-(2-methylpiperidin-1-yl)-2,8-dihydropurine-8-thiol

Systemtic Name: 9-ethyl-3-[4-(4-fluorophenyl)-1-methyl-benzimidazol-2-yl]-7-(2-methylpiperidin-1-yl)-2,8-dihydropurine-8-thiol Openeye Name: 9-ethyl-3-[4-(4-fluorophenyl)-1-methyl-benzimidazol-2-yl]-7-(2-methyl-1-piperidyl)-2,8-dihydropurine-8-thiol CAS Name: 9-ethyl-3-[4-(4-fluorophenyl)-1-methyl-2-benzimidazolyl]-7-(2-methyl-1-piperidinyl)-2,8-dihydropurine-8-thiol IUPAC Name: 9-ethyl-3-[4-(4-fluorophenyl)-1-methylbenzimidazol-2-yl]-7-(2-methylpiperidin-1-yl)-2,8-dihydropurine-8-thiol Traditional Name: 9-ethyl-3-[4-(4-fluorophenyl)-1-methyl-benzimidazol-2-yl]-7-(2-methylpiperidino)-2,8-dihydropurine-8-thiol Formula: C27H32FN7S MolecularWeight: 505.653283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=C1N(CN=C2)C3=NC4=C(C=CC=C4N3C)C5=CC=C(C=C5)F)N6CCCCC6C)S

Isomeric SMILES

CCN1C(N(C2=C1N(CN=C2)C3=NC4=C(C=CC=C4N3C)C5=CC=C(C=C5)F)N6CCCCC6C)S

InChI

InChI=1S/C27H32FN7S/c1-4-32-25-23(35(27(32)36)34-15-6-5-8-18(34)2)16-29-17-33(25)26-30-24-21(9-7-10-22(24)31(26)3)19-11-13-20(28)14-12-19/h7,9-14,16,18,27,36H,4-6,8,15,17H2,1-3H3