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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylpropyl)-7-phenethyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(2-methylpropyl)-7-phenethylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylpropyl)-7-phenethylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-3-methyl-7-phenethyl-xanthine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(C)C)C

InChI

InChI=1S/C23H28N6O2/c1-15(2)14-28-21(30)19-20(26(5)23(28)31)24-22(29-17(4)13-16(3)25-29)27(19)12-11-18-9-7-6-8-10-18/h6-10,13,15H,11-12,14H2,1-5H3