8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfanyl-2-fluoranyl-9-(2-propan-2-yloxyethyl)purin-6-amine

Systemtic Name: 8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfanyl-2-fluoranyl-9-(2-propan-2-yloxyethyl)purin-6-amine Openeye Name: 8-(2-chloro-3,4,5-trimethoxy-phenyl)sulfanyl-2-fluoro-9-(2-isopropoxyethyl)purin-6-amine CAS Name: 8-[(2-chloro-3,4,5-trimethoxyphenyl)thio]-2-fluoro-9-(2-propan-2-yloxyethyl)-6-purinamine IUPAC Name: 8-(2-chloro-3,4,5-trimethoxyphenyl)sulfanyl-2-fluoro-9-(2-propan-2-yloxyethyl)purin-6-amine Traditional Name: [8-[(2-chloro-3,4,5-trimethoxy-phenyl)thio]-2-fluoro-9-(2-isopropoxyethyl)purin-6-yl]amine Formula: C19H23ClFN5O4S MolecularWeight: 471.933423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCN1C2=C(C(=NC(=N2)F)N)N=C1SC3=C(C(=C(C(=C3)OC)OC)OC)Cl

Isomeric SMILES

CC(C)OCCN1C2=C(C(=NC(=N2)F)N)N=C1SC3=C(C(=C(C(=C3)OC)OC)OC)Cl

InChI

InChI=1S/C19H23ClFN5O4S/c1-9(2)30-7-6-26-17-13(16(22)24-18(21)25-17)23-19(26)31-11-8-10(27-3)14(28-4)15(29-5)12(11)20/h8-9H,6-7H2,1-5H3,(H2,22,24,25)