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

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-piperidin-1-yl-prop-2-yn-1-one Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-(1-piperidyl)prop-2-yn-1-one CAS Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-(1-piperidinyl)-2-propyn-1-one IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-piperidin-1-ylprop-2-yn-1-one Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-piperidino-prop-2-yn-1-one Formula: C20H19FN6O MolecularWeight: 378.402863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC(=O)N3CCCCC3)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC(=O)N3CCCCC3)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C20H19FN6O/c1-26-19(13-6-5-7-14(21)12-13)25-17-18(22)23-15(24-20(17)26)8-9-16(28)27-10-3-2-4-11-27/h5-7,12H,2-4,10-11H2,1H3,(H2,22,23,24)