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

Systemtic Name: 8-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,3-dimethyl-7-propyl-xanthine Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)N3CCCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)N3CCCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H27N5O3S/c1-4-9-23-14-15(20(2)18(26)21(3)16(14)25)19-17(23)27-12-13(24)22-10-7-5-6-8-11-22/h4-12H2,1-3H3