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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=C(C(=N3)C)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CCCN1C2=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/C22H25FN6O2/c1-6-11-27-18-19(24-21(27)29-15(4)13(2)14(3)25-29)26(5)22(31)28(20(18)30)12-16-7-9-17(23)10-8-16/h7-10H,6,11-12H2,1-5H3