1-[6-azanyl-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 1-[6-azanyl-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 1-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 1-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 1-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 1-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C19H18FN5O MolecularWeight: 351.377523

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=C(C(=N1)N)N=C(N2C3CC3)C4=CC(=CC=C4)F)(C#C)O

Isomeric SMILES

CC(CC1=NC2=C(C(=N1)N)N=C(N2C3CC3)C4=CC(=CC=C4)F)(C#C)O

InChI

InChI=1S/C19H18FN5O/c1-3-19(2,26)10-14-22-16(21)15-18(23-14)25(13-7-8-13)17(24-15)11-5-4-6-12(20)9-11/h1,4-6,9,13,26H,7-8,10H2,2H3,(H2,21,22,23)