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

Systemtic Name: 1-(2-ethoxyethyl)-3-methyl-7-(2-methylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-(2-ethoxyethyl)-7-isobutyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-(2-ethoxyethyl)-3-methyl-7-(2-methylpropyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-(2-ethoxyethyl)-3-methyl-7-(2-methylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-(2-ethoxyethyl)-7-isobutyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C20H30N6O3 MolecularWeight: 402.4906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=O)C2=C(N=C(N2CC(C)C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

Isomeric SMILES

CCOCCN1C(=O)C2=C(N=C(N2CC(C)C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

InChI

InChI=1S/C20H30N6O3/c1-8-29-10-9-24-18(27)16-17(23(7)20(24)28)21-19(25(16)11-12(2)3)26-15(6)13(4)14(5)22-26/h12H,8-11H2,1-7H3