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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H25N5O4S/c1-5-11(2)22-13-14(19(3)17(25)20(4)15(13)24)18-16(22)27-10-12(23)21-6-8-26-9-7-21/h11H,5-10H2,1-4H3