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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-heptyl-3-methyl-xanthine Formula: C18H26N6O2 MolecularWeight: 358.43804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H26N6O2/c1-5-6-7-8-9-10-23-14-15(22(4)18(26)20-16(14)25)19-17(23)24-13(3)11-12(2)21-24/h11H,5-10H2,1-4H3,(H,20,25,26)