2-ethynyl-5-[6-[(4-fluoranyl-2-methyl-phenyl)amino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-ethynyl-5-[6-[(4-fluoranyl-2-methyl-phenyl)amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-ethynyl-5-[6-(4-fluoro-2-methyl-anilino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-ethynyl-5-[6-(4-fluoro-2-methylanilino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-ethynyl-5-[6-(4-fluoro-2-methylanilino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-ethynyl-5-[6-(4-fluoro-2-methyl-anilino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C18H16FN5O3 MolecularWeight: 369.349743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)C#C)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)C#C)O)O

InChI

InChI=1S/C18H16FN5O3/c1-3-12-14(25)15(26)18(27-12)24-8-22-13-16(20-7-21-17(13)24)23-11-5-4-10(19)6-9(11)2/h1,4-8,12,14-15,18,25-26H,2H3,(H,20,21,23)