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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O2/c1-9(2)8-21-14(23)12-13(20(6)16(21)24)17-15(19(12)5)22-11(4)7-10(3)18-22/h7,9H,8H2,1-6H3