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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=O)C2=C(N=C(N2CC3=CC=CC(=C3)C)N4C(=CC(=N4)C)C)N(C1=O)C

Isomeric SMILES

CCOCCN1C(=O)C2=C(N=C(N2CC3=CC=CC(=C3)C)N4C(=CC(=N4)C)C)N(C1=O)C

InChI

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