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

Systemtic Name: 1-ethyl-3,7-dimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 1-ethyl-3,7-dimethyl-8-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione CAS Name: 1-ethyl-3,7-dimethyl-8-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 1-ethyl-3,7-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 1-ethyl-8-[(2-keto-2-pyrrolidino-ethyl)thio]-3,7-dimethyl-xanthine Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)N3CCCC3)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)N3CCCC3)N(C1=O)C

InChI

InChI=1S/C15H21N5O3S/c1-4-20-13(22)11-12(18(3)15(20)23)16-14(17(11)2)24-9-10(21)19-7-5-6-8-19/h4-9H2,1-3H3