1,3,7-trimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3,7-trimethyl-xanthine Formula: C14H19N5O3S MolecularWeight: 337.39736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)N3CCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)N3CCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H19N5O3S/c1-16-10-11(17(2)14(22)18(3)12(10)21)15-13(16)23-8-9(20)19-6-4-5-7-19/h4-8H2,1-3H3