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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-1-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-1-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-1-phenethyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-1-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-1-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N6O3/c1-15-16(2)25-29(17(15)3)22-24-20-19(27(22)13-14-32-5)21(30)28(23(31)26(20)4)12-11-18-9-7-6-8-10-18/h6-10H,11-14H2,1-5H3