8-(3,5-dimethylpyrazol-1-yl)-1-[(2-fluorophenyl)methyl]-3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-[(2-fluorophenyl)methyl]-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-[(2-fluorophenyl)methyl]-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-[(2-fluorophenyl)methyl]-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-1-[(2-fluorophenyl)methyl]-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-fluorobenzyl)-7-isopropyl-3-methyl-xanthine Formula: C21H23FN6O2 MolecularWeight: 410.444723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F)C

InChI

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