7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-morpholino-xanthine Formula: C15H20ClN5O3 MolecularWeight: 353.804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C\CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C15H20ClN5O3/c1-10(16)4-5-21-11-12(18(2)15(23)19(3)13(11)22)17-14(21)20-6-8-24-9-7-20/h4H,5-9H2,1-3H3/b10-4+