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

Systemtic Name: 8-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]-2-fluoranyl-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-2-fluoro-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynylpurin-6-amine Traditional Name: [8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ynyl-purin-6-yl]amine Formula: C20H21ClFN5O3 MolecularWeight: 433.863843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CC2=NC3=C(N2CCCC#C)N=C(N=C3N)F)Cl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CC2=NC3=C(N2CCCC#C)N=C(N=C3N)F)Cl)OC)OC

InChI

InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26)