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

Systemtic Name: 6-(2-chloroethyl)-4,7-dimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(2-chloroethyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-chloroethyl)-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-chloroethyl)-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(2-chloroethyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C14H16ClN5O2 MolecularWeight: 321.76214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCCl)N(C(=O)N(C3=O)CC=C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCCl)N(C(=O)N(C3=O)CC=C)C

InChI

InChI=1S/C14H16ClN5O2/c1-4-6-19-12(21)10-11(17(3)14(19)22)16-13-18(7-5-15)9(2)8-20(10)13/h4,8H,1,5-7H2,2-3H3