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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-8-[3-(1-imidazolyl)propylamino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-xanthine Formula: C17H22ClN7O2 MolecularWeight: 391.85528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)N(C2=O)C)C)/Cl

InChI

InChI=1S/C17H22ClN7O2/c1-12(18)5-9-25-13-14(22(2)17(27)23(3)15(13)26)21-16(25)20-6-4-8-24-10-7-19-11-24/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,20,21)/b12-5-