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

Systemtic Name: 9-butyl-8-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]-2-fluoranyl-purin-6-amine Openeye Name: 9-butyl-8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-2-fluoro-purin-6-amine CAS Name: 9-butyl-8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-6-purinamine IUPAC Name: 9-butyl-8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoropurin-6-amine Traditional Name: [9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-purin-6-yl]amine Formula: C19H23ClFN5O3 MolecularWeight: 423.869023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1N=C(N=C2N)F)CC3=CC(=C(C(=C3Cl)OC)OC)OC

Isomeric SMILES

CCCCN1C(=NC2=C1N=C(N=C2N)F)CC3=CC(=C(C(=C3Cl)OC)OC)OC

InChI

InChI=1S/C19H23ClFN5O3/c1-5-6-7-26-12(23-14-17(22)24-19(21)25-18(14)26)9-10-8-11(27-2)15(28-3)16(29-4)13(10)20/h8H,5-7,9H2,1-4H3,(H2,22,24,25)