3-ethyl-8-[1-[3-(4-fluorophenyl)prop-2-ynyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione

Systemtic Name: 3-ethyl-8-[1-[3-(4-fluorophenyl)prop-2-ynyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione Openeye Name: 3-ethyl-8-[1-[3-(4-fluorophenyl)prop-2-ynyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione CAS Name: 3-ethyl-8-[1-[3-(4-fluorophenyl)prop-2-ynyl]-4-pyrazolyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-ethyl-8-[1-[3-(4-fluorophenyl)prop-2-ynyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione Traditional Name: 3-ethyl-8-[1-[3-(4-fluorophenyl)prop-2-ynyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-quinone Formula: C22H21FN6O2 MolecularWeight: 420.439543

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC#CC4=CC=C(C=C4)F)N(C1=O)CC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC#CC4=CC=C(C=C4)F)N(C1=O)CC

InChI

InChI=1S/C22H21FN6O2/c1-3-11-29-21(30)18-20(28(4-2)22(29)31)26-19(25-18)16-13-24-27(14-16)12-5-6-15-7-9-17(23)10-8-15/h7-10,13-14H,3-4,11-12H2,1-2H3,(H,25,26)