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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-3-methyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-8-(3,5-dimethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-[(2-fluorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-(3,5-dimethylpyrazol-1-yl)-7-(2-fluorobenzyl)-3-methyl-xanthine Formula: C21H21FN6O2 MolecularWeight: 408.428843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)CC=C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)CC=C)C

InChI

InChI=1S/C21H21FN6O2/c1-5-10-26-19(29)17-18(25(4)21(26)30)23-20(28-14(3)11-13(2)24-28)27(17)12-15-8-6-7-9-16(15)22/h5-9,11H,1,10,12H2,2-4H3