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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-nonyl-xanthine Formula: C20H30N6O2 MolecularWeight: 386.4912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H30N6O2/c1-5-6-7-8-9-10-11-12-25-16-17(24(4)20(28)22-18(16)27)21-19(25)26-15(3)13-14(2)23-26/h13H,5-12H2,1-4H3,(H,22,27,28)