6-(2-chloroethyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-chloroethyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-chloroethyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-chloroethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-chloroethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-chloroethyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C11H12ClN5O2 MolecularWeight: 281.69828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCCl)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCCl)N(C(=O)NC3=O)C

InChI

InChI=1S/C11H12ClN5O2/c1-6-5-17-7-8(13-10(17)16(6)4-3-12)15(2)11(19)14-9(7)18/h5H,3-4H2,1-2H3,(H,14,18,19)