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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)NC(=O)N3C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC4=CC=C(C=C4)OC)C(=O)NC(=O)N3C)CC

InChI

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