1-[6-azanyl-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)purin-2-yl]-2-methyl-butan-2-ol dihydrochloride

Systemtic Name: 1-[6-azanyl-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)purin-2-yl]-2-methyl-butan-2-ol dihydrochloride Openeye Name: 1-[6-amino-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)purin-2-yl]-2-methyl-butan-2-ol dihydrochloride CAS Name: 1-[6-amino-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)-2-purinyl]-2-methyl-2-butanol dihydrochloride IUPAC Name: 1-[6-amino-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)purin-2-yl]-2-methylbutan-2-ol dihydrochloride Traditional Name: 1-[6-amino-9-(4-dimethylaminophenyl)-8-(3-fluorophenyl)purin-2-yl]-2-methyl-butan-2-ol dihydrochloride Formula: C24H29Cl2FN6O MolecularWeight: 507.431063

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC1=NC2=C(C(=N1)N)N=C(N2C3=CC=C(C=C3)N(C)C)C4=CC(=CC=C4)F)O.Cl.Cl

Isomeric SMILES

CCC(C)(CC1=NC2=C(C(=N1)N)N=C(N2C3=CC=C(C=C3)N(C)C)C4=CC(=CC=C4)F)O.Cl.Cl

InChI

InChI=1S/C24H27FN6O.2ClH/c1-5-24(2,32)14-19-27-21(26)20-23(28-19)31(18-11-9-17(10-12-18)30(3)4)22(29-20)15-7-6-8-16(25)13-15;;/h6-13,32H,5,14H2,1-4H3,(H2,26,27,28);2*1H