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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C

InChI

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