8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C22H20N6O2 MolecularWeight: 400.4332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C22H20N6O2/c1-13-11-14(2)28(25-13)21-23-19-18(20(29)24-22(30)26(19)3)27(21)12-16-9-6-8-15-7-4-5-10-17(15)16/h4-11H,12H2,1-3H3,(H,24,29,30)