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

Systemtic Name: 3-ethyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 3-ethyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-isobutyl-7H-purine-2,6-dione CAS Name: 3-ethyl-8-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-1-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 3-ethyl-8-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 3-ethyl-8-[1-(3-fluorobenzyl)pyrazol-4-yl]-1-isobutyl-7H-purine-2,6-quinone Formula: C21H23FN6O2 MolecularWeight: 410.444723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC(C)C)NC(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC(C)C)NC(=N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C21H23FN6O2/c1-4-27-19-17(20(29)28(21(27)30)10-13(2)3)24-18(25-19)15-9-23-26(12-15)11-14-6-5-7-16(22)8-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,24,25)