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

Systemtic Name: 1-ethyl-7-[(2-fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-ethyl-7-[(2-fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-ethyl-7-[(2-fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-ethyl-7-[(2-fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-ethyl-7-(2-fluorobenzyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C21H23FN6O2 MolecularWeight: 410.444723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3F)N4C(=C(C(=N4)C)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3F)N4C(=C(C(=N4)C)C)C)N(C1=O)C

InChI

InChI=1S/C21H23FN6O2/c1-6-26-19(29)17-18(25(5)21(26)30)23-20(28-14(4)12(2)13(3)24-28)27(17)11-15-9-7-8-10-16(15)22/h7-10H,6,11H2,1-5H3