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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopentyl-1-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-1-(2-methoxyethyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isoamyl-1-(2-methoxyethyl)-3-methyl-xanthine Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)CCOC)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)CCOC)C

InChI

InChI=1S/C19H28N6O3/c1-12(2)7-8-23-15-16(20-18(23)25-14(4)11-13(3)21-25)22(5)19(27)24(17(15)26)9-10-28-6/h11-12H,7-10H2,1-6H3