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

Systemtic Name: 8-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]-2-fluoranyl-9-(2-propan-2-yloxyethyl)purin-6-amine Openeye Name: 8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-2-fluoro-9-(2-isopropoxyethyl)purin-6-amine CAS Name: 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-(2-propan-2-yloxyethyl)-6-purinamine IUPAC Name: 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-(2-propan-2-yloxyethyl)purin-6-amine Traditional Name: [8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-(2-isopropoxyethyl)purin-6-yl]amine Formula: C20H25ClFN5O4 MolecularWeight: 453.895003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCN1C(=NC2=C1N=C(N=C2N)F)CC3=CC(=C(C(=C3Cl)OC)OC)OC

Isomeric SMILES

CC(C)OCCN1C(=NC2=C1N=C(N=C2N)F)CC3=CC(=C(C(=C3Cl)OC)OC)OC

InChI

InChI=1S/C20H25ClFN5O4/c1-10(2)31-7-6-27-13(24-15-18(23)25-20(22)26-19(15)27)9-11-8-12(28-3)16(29-4)17(30-5)14(11)21/h8,10H,6-7,9H2,1-5H3,(H2,23,25,26)