9-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[2-(azepan-1-yl)-2-oxo-ethyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[2-(1-azepanyl)-2-oxoethyl]-8-bromo-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[2-(azepan-1-yl)-2-oxoethyl]-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[2-(azepan-1-yl)-2-keto-ethyl]-8-bromo-1,3-dimethyl-xanthine Formula: C15H20BrN5O3 MolecularWeight: 398.255

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)N3CCCCCC3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)N3CCCCCC3)Br

InChI

InChI=1S/C15H20BrN5O3/c1-18-12-11(13(23)19(2)15(18)24)17-14(16)21(12)9-10(22)20-7-5-3-4-6-8-20/h3-9H2,1-2H3