1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclopent-2-en-1-ol

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclopent-2-en-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclopent-2-en-1-ol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclopent-2-enol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopent-2-en-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclopent-2-en-1-ol Formula: C19H16FN5O MolecularWeight: 349.361643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCC=C3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCC=C3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C19H16FN5O/c1-25-17(12-5-4-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-2-3-9-19/h2,4-6,8,11,26H,3,9H2,1H3,(H2,21,22,23)