1-[(2-fluorophenyl)methyl]-3-methyl-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3-methyl-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-[(2-fluorophenyl)methyl]-7-isopropyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-3-methyl-7-propan-2-yl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-[(2-fluorophenyl)methyl]-3-methyl-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-(2-fluorobenzyl)-7-isopropyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C22H25FN6O2 MolecularWeight: 424.471303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F)C

InChI

InChI=1S/C22H25FN6O2/c1-12(2)28-18-19(24-21(28)29-15(5)13(3)14(4)25-29)26(6)22(31)27(20(18)30)11-16-9-7-8-10-17(16)23/h7-10,12H,11H2,1-6H3