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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-phenethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-phenethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-phenethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-phenethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-phenethyl-xanthine Formula: C22H26N6O2 MolecularWeight: 406.48084

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)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N6O2/c1-14(2)27-18-19(23-21(27)28-16(4)13-15(3)24-28)25(5)22(30)26(20(18)29)12-11-17-9-7-6-8-10-17/h6-10,13-14H,11-12H2,1-5H3