7-[(E)-3-chloranylbut-2-enyl]-8-(diethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-8-(diethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-(diethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-(diethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-(diethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-(diethylamino)-3-methyl-xanthine Formula: C14H20ClN5O2 MolecularWeight: 325.7939

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1C/C=C(\C)/Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H20ClN5O2/c1-5-19(6-2)13-16-11-10(20(13)8-7-9(3)15)12(21)17-14(22)18(11)4/h7H,5-6,8H2,1-4H3,(H,17,21,22)/b9-7+