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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-lauryl-3-methyl-xanthine Formula: C23H36N6O2 MolecularWeight: 428.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H36N6O2/c1-5-6-7-8-9-10-11-12-13-14-15-28-19-20(27(4)23(31)25-21(19)30)24-22(28)29-18(3)16-17(2)26-29/h16H,5-15H2,1-4H3,(H,25,30,31)