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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-methylbutyl)-1-phenethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopentyl-3-methyl-1-phenethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-(3-methylbutyl)-1-phenethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-methylbutyl)-1-phenethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isoamyl-3-methyl-1-phenethyl-xanthine Formula: C24H30N6O2 MolecularWeight: 434.534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCC(C)C)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C24H30N6O2/c1-16(2)11-13-28-20-21(25-23(28)30-18(4)15-17(3)26-30)27(5)24(32)29(22(20)31)14-12-19-9-7-6-8-10-19/h6-10,15-16H,11-14H2,1-5H3