5-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclobutyl)ethynyl]purin-9-yl]-1-methyl-pyridin-2-one

Systemtic Name: 5-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclobutyl)ethynyl]purin-9-yl]-1-methyl-pyridin-2-one Openeye Name: 5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclobutyl)ethynyl]purin-9-yl]-1-methyl-pyridin-2-one CAS Name: 5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclobutyl)ethynyl]-9-purinyl]-1-methyl-2-pyridinone IUPAC Name: 5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclobutyl)ethynyl]purin-9-yl]-1-methylpyridin-2-one Traditional Name: 5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclobutyl)ethynyl]purin-9-yl]-1-methyl-2-pyridone Formula: C23H19FN6O2 MolecularWeight: 430.434363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=O)N2C3=C(C(=NC(=N3)C#CC4(CCC4)O)N)N=C2C5=CC(=CC=C5)F

Isomeric SMILES

CN1C=C(C=CC1=O)N2C3=C(C(=NC(=N3)C#CC4(CCC4)O)N)N=C2C5=CC(=CC=C5)F

InChI

InChI=1S/C23H19FN6O2/c1-29-13-16(6-7-18(29)31)30-21(14-4-2-5-15(24)12-14)28-19-20(25)26-17(27-22(19)30)8-11-23(32)9-3-10-23/h2,4-7,12-13,32H,3,9-10H2,1H3,(H2,25,26,27)