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

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-phenyl-prop-2-yn-1-ol Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-phenyl-prop-2-yn-1-ol CAS Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-phenyl-2-propyn-1-ol IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-phenylprop-2-yn-1-ol Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-phenyl-prop-2-yn-1-ol Formula: C21H16FN5O MolecularWeight: 373.383043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC(C3=CC=CC=C3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC(C3=CC=CC=C3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C21H16FN5O/c1-27-20(14-8-5-9-15(22)12-14)26-18-19(23)24-17(25-21(18)27)11-10-16(28)13-6-3-2-4-7-13/h2-9,12,16,28H,1H3,(H2,23,24,25)