8-(azepan-1-yl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-3,7-dimethyl-xanthine Formula: C13H19N5O2 MolecularWeight: 277.32226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H19N5O2/c1-16-9-10(17(2)13(20)15-11(9)19)14-12(16)18-7-5-3-4-6-8-18/h3-8H2,1-2H3,(H,15,19,20)