1-(2-methoxyethyl)-3-methyl-7-(2-methylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1-(2-methoxyethyl)-3-methyl-7-(2-methylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-isobutyl-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-3-methyl-7-(2-methylpropyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-(2-methoxyethyl)-3-methyl-7-(2-methylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-isobutyl-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C19H28N6O3 MolecularWeight: 388.46402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)CCOC)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CC(C)C)C(=O)N(C(=O)N3C)CCOC)C

InChI

InChI=1S/C19H28N6O3/c1-11(2)10-24-15-16(20-18(24)25-14(5)12(3)13(4)21-25)22(6)19(27)23(17(15)26)8-9-28-7/h11H,8-10H2,1-7H3