3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1,1-diphenyl-prop-2-yn-1-ol

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1,1-diphenyl-prop-2-yn-1-ol Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1,1-diphenyl-prop-2-yn-1-ol CAS Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1,1-diphenyl-2-propyn-1-ol IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1,1-diphenylprop-2-yn-1-ol Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1,1-diphenyl-prop-2-yn-1-ol Formula: C27H20FN5O MolecularWeight: 449.479003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)N)N=C1C5=CC(=CC=C5)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)N)N=C1C5=CC(=CC=C5)F

InChI

InChI=1S/C27H20FN5O/c1-33-25(18-9-8-14-21(28)17-18)32-23-24(29)30-22(31-26(23)33)15-16-27(34,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,34H,1H3,(H2,29,30,31)