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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-1-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-1-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-(2-ethoxyethyl)-1-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-1-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-(2-ethoxyethyl)-1-(2-methoxyethyl)-3-methyl-xanthine Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCOC)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CCOC)C

InChI

InChI=1S/C18H26N6O4/c1-6-28-10-8-22-14-15(19-17(22)24-13(3)11-12(2)20-24)21(4)18(26)23(16(14)25)7-9-27-5/h11H,6-10H2,1-5H3