1-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-ol

Systemtic Name: 1-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-ol Openeye Name: 1-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-ol CAS Name: 1-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-propyn-1-ol IUPAC Name: 1-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methylpurin-2-yl]prop-2-yn-1-ol Traditional Name: 1-(2-aminophenyl)-1-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]prop-2-yn-1-ol Formula: C21H16FN5O MolecularWeight: 373.383043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C(C#C)(C3=CC=CC=C3N)O)C4=CC(=CC=C4)F

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C(C#C)(C3=CC=CC=C3N)O)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H16FN5O/c1-3-21(28,15-9-4-5-10-16(15)23)20-24-12-17-19(26-20)27(2)18(25-17)13-7-6-8-14(22)11-13/h1,4-12,28H,23H2,2H3