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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-3-methyl-1-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(1-naphthylmethyl)xanthine Formula: C24H24N6O2 MolecularWeight: 428.48636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C24H24N6O2/c1-5-28-20-21(25-23(28)30-16(3)13-15(2)26-30)27(4)24(32)29(22(20)31)14-18-11-8-10-17-9-6-7-12-19(17)18/h6-13H,5,14H2,1-4H3