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

Systemtic Name: 8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfanyl-2-fluoranyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-(2-chloro-3,4,5-trimethoxy-phenyl)sulfanyl-2-fluoro-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(2-chloro-3,4,5-trimethoxyphenyl)thio]-2-fluoro-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-(2-chloro-3,4,5-trimethoxyphenyl)sulfanyl-2-fluoro-9-pent-4-ynylpurin-6-amine Traditional Name: [8-[(2-chloro-3,4,5-trimethoxy-phenyl)thio]-2-fluoro-9-pent-4-ynyl-purin-6-yl]amine Formula: C19H19ClFN5O3S MolecularWeight: 451.902263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1OC)OC)Cl)SC2=NC3=C(N2CCCC#C)N=C(N=C3N)F

Isomeric SMILES

COC1=CC(=C(C(=C1OC)OC)Cl)SC2=NC3=C(N2CCCC#C)N=C(N=C3N)F

InChI

InChI=1S/C19H19ClFN5O3S/c1-5-6-7-8-26-17-13(16(22)24-18(21)25-17)23-19(26)30-11-9-10(27-2)14(28-3)15(29-4)12(11)20/h1,9H,6-8H2,2-4H3,(H2,22,24,25)