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

Systemtic Name: 3-butyl-8-[3-(2,6-dimethylmorpholin-4-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-[3-(2,6-dimethylmorpholin-4-yl)-3-oxo-propyl]-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-(2,6-dimethyl-4-morpholinyl)-3-oxopropyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-[3-(2,6-dimethylmorpholino)-3-keto-propyl]xanthine Formula: C23H37N5O4 MolecularWeight: 447.57098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CC(OC(C3)C)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CC(OC(C3)C)C

InChI

InChI=1S/C23H37N5O4/c1-5-7-9-13-27-18(10-11-19(29)26-14-16(3)32-17(4)15-26)24-21-20(27)22(30)25-23(31)28(21)12-8-6-2/h16-17H,5-15H2,1-4H3,(H,25,30,31)