8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-3-methyl-7-p-anisyl-xanthine Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)N4C(=CC(=N4)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=C(C=C3)OC)N4C(=CC(=N4)C)C)N(C1=O)C

InChI

InChI=1S/C21H24N6O3/c1-6-25-19(28)17-18(24(4)21(25)29)22-20(27-14(3)11-13(2)23-27)26(17)12-15-7-9-16(30-5)10-8-15/h7-11H,6,12H2,1-5H3