3-butyl-8-[[(5-chloranyl-2-morpholin-4-yl-phenyl)amino]methyl]-7-ethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[[(5-chloranyl-2-morpholin-4-yl-phenyl)amino]methyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(5-chloro-2-morpholino-anilino)methyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[5-chloro-2-(4-morpholinyl)anilino]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(5-chloro-2-morpholin-4-ylanilino)methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[(5-chloro-2-morpholino-anilino)methyl]-7-ethyl-xanthine Formula: C22H29ClN6O3 MolecularWeight: 460.95706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=C(C=CC(=C3)Cl)N4CCOCC4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=C(C=CC(=C3)Cl)N4CCOCC4)CC

InChI

InChI=1S/C22H29ClN6O3/c1-3-5-8-29-20-19(21(30)26-22(29)31)28(4-2)18(25-20)14-24-16-13-15(23)6-7-17(16)27-9-11-32-12-10-27/h6-7,13,24H,3-5,8-12,14H2,1-2H3,(H,26,30,31)