7-butyl-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-(2-morpholino-2-oxo-ethyl)sulfanyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[[2-(4-morpholinyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanylpurine-2,6-dione Traditional Name: 7-butyl-8-[(2-keto-2-morpholino-ethyl)thio]-1,3-dimethyl-xanthine Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H25N5O4S/c1-4-5-6-22-13-14(19(2)17(25)20(3)15(13)24)18-16(22)27-11-12(23)21-7-9-26-10-8-21/h4-11H2,1-3H3