7-butyl-1,3-dimethyl-8-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[[2-oxo-2-(1-piperidinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-(2-oxo-2-piperidin-1-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 7-butyl-8-[(2-keto-2-piperidino-ethyl)thio]-1,3-dimethyl-xanthine Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)N3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)N3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

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