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

Systemtic Name: 1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-7-octyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-morpholino-2-oxo-ethyl)sulfanyl-7-octyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-(4-morpholinyl)-2-oxoethyl]thio]-7-octylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-7-octylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-morpholino-ethyl)thio]-1,3-dimethyl-7-octyl-xanthine Formula: C21H33N5O4S MolecularWeight: 451.58282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H33N5O4S/c1-4-5-6-7-8-9-10-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)31-15-16(27)25-11-13-30-14-12-25/h4-15H2,1-3H3