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

Systemtic Name: 3-butyl-8-[3-(2-ethylmorpholin-4-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-[3-(2-ethylmorpholin-4-yl)-3-oxo-propyl]-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-(2-ethyl-4-morpholinyl)-3-oxopropyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-[3-(2-ethylmorpholino)-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)N3CCOC(C3)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H37N5O4/c1-4-7-9-13-27-18(10-11-19(29)26-14-15-32-17(6-3)16-26)24-21-20(27)22(30)25-23(31)28(21)12-8-5-2/h17H,4-16H2,1-3H3,(H,25,30,31)