N-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-propan-2-yl-propane-2-sulfonamide hydrochloride

Systemtic Name: N-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-propan-2-yl-propane-2-sulfonamide hydrochloride Openeye Name: N-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-isopropyl-propane-2-sulfonamide hydrochloride CAS Name: N-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-N-propan-2-yl-2-propanesulfonamide hydrochloride IUPAC Name: N-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-N-propan-2-ylpropane-2-sulfonamide hydrochloride Traditional Name: N-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-isopropyl-propane-2-sulfonamide hydrochloride Formula: C18H24ClFN6O2S MolecularWeight: 442.938563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)S(=O)(=O)C(C)C.Cl

Isomeric SMILES

CC(C)N(C1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)S(=O)(=O)C(C)C.Cl

InChI

InChI=1S/C18H23FN6O2S.ClH/c1-10(2)25(28(26,27)11(3)4)18-22-15(20)14-17(23-18)24(5)16(21-14)12-7-6-8-13(19)9-12;/h6-11H,1-5H3,(H2,20,22,23);1H