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

Systemtic Name: 7-decyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-decyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-decyl-8-(3,5-dimethyl-1-pyrazolyl)-3-methylpurine-2,6-dione IUPAC Name: 7-decyl-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-decyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-xanthine Formula: C21H32N6O2 MolecularWeight: 400.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H32N6O2/c1-5-6-7-8-9-10-11-12-13-26-17-18(25(4)21(29)23-19(17)28)22-20(26)27-16(3)14-15(2)24-27/h14H,5-13H2,1-4H3,(H,23,28,29)