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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-methylbutyl)-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-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)-1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-methylbutyl)-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-7-isoamyl-3-methyl-xanthine Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O3/c1-11(2)7-8-23-15-16(20-18(23)25-13(4)9-12(3)21-25)22(6)19(28)24(17(15)27)10-14(5)26/h9,11H,7-8,10H2,1-6H3