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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isopentyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isoamyl-3,7-dimethyl-xanthine Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCC(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCC(C)C)C

InChI

InChI=1S/C17H24N6O2/c1-10(2)7-8-22-15(24)13-14(21(6)17(22)25)18-16(20(13)5)23-12(4)9-11(3)19-23/h9-10H,7-8H2,1-6H3