8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-xanthine Formula: C19H20N6O2 MolecularWeight: 364.4011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C19H20N6O2/c1-12-10-13(2)25(21-12)18-20-16-15(17(26)23(4)19(27)22(16)3)24(18)11-14-8-6-5-7-9-14/h5-10H,11H2,1-4H3