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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(3,5-diethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-7-(2-methoxyethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(3,5-diethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 1-benzyl-8-(3,5-diethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)CC

InChI

InChI=1S/C23H28N6O3/c1-5-17-14-18(6-2)29(25-17)22-24-20-19(27(22)12-13-32-4)21(30)28(23(31)26(20)3)15-16-10-8-7-9-11-16/h7-11,14H,5-6,12-13,15H2,1-4H3