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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 7-[(2-fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-(2-fluorobenzyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C19H19FN6O2 MolecularWeight: 382.391563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CC4=CC=CC=C4F)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C19H19FN6O2/c1-10-11(2)23-26(12(10)3)18-21-16-15(17(27)22-19(28)24(16)4)25(18)9-13-7-5-6-8-14(13)20/h5-8H,9H2,1-4H3,(H,22,27,28)