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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-(2-ethoxyethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N6O3/c1-5-31-12-11-26-18-19(23-21(26)28-16(3)13-15(2)24-28)25(4)22(30)27(20(18)29)14-17-9-7-6-8-10-17/h6-10,13H,5,11-12,14H2,1-4H3