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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-(2-methoxyethyl)-3-methyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H24N6O3/c1-14-12-15(2)27(23-14)20-22-18-17(25(20)10-11-30-4)19(28)26(21(29)24(18)3)13-16-8-6-5-7-9-16/h5-9,12H,10-11,13H2,1-4H3