7-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(azepan-1-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-azepanyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(azepan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(azepan-1-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C15H21N5O3 MolecularWeight: 319.35894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C15H21N5O3/c1-17-13-12(14(22)18(2)15(17)23)20(10-16-13)9-11(21)19-7-5-3-4-6-8-19/h10H,3-9H2,1-2H3