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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F)N(C1=O)CC

Isomeric SMILES

CCC(C)N1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC4=CC(=CC=C4)F)N(C1=O)CC

InChI

InChI=1S/C21H23FN6O2/c1-4-13(3)28-20(29)17-19(27(5-2)21(28)30)25-18(24-17)15-10-23-26(12-15)11-14-7-6-8-16(22)9-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,24,25)