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

Systemtic Name: 1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-7-nonyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-morpholino-2-oxo-ethyl)sulfanyl-7-nonyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-(4-morpholinyl)-2-oxoethyl]thio]-7-nonylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-7-nonylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-morpholino-ethyl)thio]-1,3-dimethyl-7-nonyl-xanthine Formula: C22H35N5O4S MolecularWeight: 465.6094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H35N5O4S/c1-4-5-6-7-8-9-10-11-27-18-19(24(2)22(30)25(3)20(18)29)23-21(27)32-16-17(28)26-12-14-31-15-13-26/h4-16H2,1-3H3