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

Systemtic Name: 8-(azepan-1-yl)-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-ethyl-3-methyl-xanthine Formula: C14H21N5O2 MolecularWeight: 291.34884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O2/c1-3-19-10-11(17(2)14(21)16-12(10)20)15-13(19)18-8-6-4-5-7-9-18/h3-9H2,1-2H3,(H,16,20,21)