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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isoamyl-3-methyl-xanthine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C16H22N6O2/c1-9(2)6-7-21-12-13(20(5)16(24)18-14(12)23)17-15(21)22-11(4)8-10(3)19-22/h8-9H,6-7H2,1-5H3,(H,18,23,24)