7-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(azocan-1-yl)-2-oxo-ethyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-azocanyl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(azocan-1-yl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(azocan-1-yl)-2-keto-ethyl]-8-chloro-1,3-dimethyl-xanthine Formula: C16H22ClN5O3 MolecularWeight: 367.83058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCCCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCCCCCC3

InChI

InChI=1S/C16H22ClN5O3/c1-19-13-12(14(24)20(2)16(19)25)22(15(17)18-13)10-11(23)21-8-6-4-3-5-7-9-21/h3-10H2,1-2H3