3-butyl-8-[3-(2-methylmorpholin-4-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[3-(2-methylmorpholin-4-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-[3-(2-methylmorpholin-4-yl)-3-oxo-propyl]-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-(2-methyl-4-morpholinyl)-3-oxopropyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-[3-keto-3-(2-methylmorpholino)propyl]xanthine Formula: C22H35N5O4 MolecularWeight: 433.5444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCOC(C3)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCOC(C3)C

InChI

InChI=1S/C22H35N5O4/c1-4-6-8-12-26-17(9-10-18(28)25-13-14-31-16(3)15-25)23-20-19(26)21(29)24-22(30)27(20)11-7-5-2/h16H,4-15H2,1-3H3,(H,24,29,30)