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

Systemtic Name: 7-butyl-1,3-dimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 7-butyl-8-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-dimethyl-xanthine Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)N3CCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)N3CCCC3)N(C(=O)N(C2=O)C)C

InChI

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