7-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2,5-dimethylbenzyl)-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-xanthine Formula: C21H24N6O2 MolecularWeight: 392.45426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(N=C2N4C(=CC(=N4)C)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H24N6O2/c1-12-7-8-13(2)16(9-12)11-26-17-18(24(5)21(29)25(6)19(17)28)22-20(26)27-15(4)10-14(3)23-27/h7-10H,11H2,1-6H3