8-(3,5-dimethylpyrazol-1-yl)-1-[(4-methoxyphenyl)methyl]-3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-[(4-methoxyphenyl)methyl]-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-1-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-1-[(4-methoxyphenyl)methyl]-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-p-anisyl-xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C22H26N6O3/c1-13(2)27-18-19(23-21(27)28-15(4)11-14(3)24-28)25(5)22(30)26(20(18)29)12-16-7-9-17(31-6)10-8-16/h7-11,13H,12H2,1-6H3