7-[(Z)-3-chloranylbut-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C13H18ClN5O3 MolecularWeight: 327.76672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C13H18ClN5O3/c1-8(14)4-6-19-9-10(16-12(19)15-5-7-20)17(2)13(22)18(3)11(9)21/h4,20H,5-7H2,1-3H3,(H,15,16)/b8-4-