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

Systemtic Name: 8-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-ethyl-1,3-dimethyl-xanthine Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)N3CCCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)N3CCCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H25N5O3S/c1-4-22-13-14(19(2)17(25)20(3)15(13)24)18-16(22)26-11-12(23)21-9-7-5-6-8-10-21/h4-11H2,1-3H3