6-(3-chloranylpropyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-chloranylpropyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloropropyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloropropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloropropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloropropyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C12H14ClN5O2 MolecularWeight: 295.72486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCCCl)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCCCl)N(C(=O)NC3=O)C

InChI

InChI=1S/C12H14ClN5O2/c1-7-6-18-8-9(16(2)12(20)15-10(8)19)14-11(18)17(7)5-3-4-13/h6H,3-5H2,1-2H3,(H,15,19,20)