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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-(2-ethoxyethyl)-3-methyl-1-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-3-methyl-1-(3-methylbenzyl)xanthine Formula: C23H28N6O3 MolecularWeight: 436.50682

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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)C

Isomeric SMILES

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

InChI

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