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

Systemtic Name: 6-(2-chloroethyl)-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-chloroethyl)-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-chloroethyl)-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-chloroethyl)-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-chloroethyl)-4,7-dimethyl-2-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCCl)N(C(=O)N(C3=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCCl)N(C(=O)N(C3=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C19H20ClN5O2/c1-13-12-25-15-16(21-18(25)23(13)11-9-20)22(2)19(27)24(17(15)26)10-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3