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

Systemtic Name: 3-butyl-8-(3-morpholin-4-yl-3-oxidanylidene-propyl)-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-(3-morpholino-3-oxo-propyl)-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-(4-morpholinyl)-3-oxopropyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-(3-morpholin-4-yl-3-oxopropyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-(3-keto-3-morpholino-propyl)xanthine Formula: C21H33N5O4 MolecularWeight: 419.51782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCOCC3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCOCC3

InChI

InChI=1S/C21H33N5O4/c1-3-5-7-11-25-16(8-9-17(27)24-12-14-30-15-13-24)22-19-18(25)20(28)23-21(29)26(19)10-6-4-2/h3-15H2,1-2H3,(H,23,28,29)