6-(3-chloranyl-2-methyl-phenyl)-2,4,7-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-chloranyl-2-methyl-phenyl)-2,4,7-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-2-methyl-phenyl)-2,4,7-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-2-methylphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-2-methylphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-2-methyl-phenyl)-2,4,7-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C17H16ClN5O2 MolecularWeight: 357.79424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=C(C(=CC=C4)Cl)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=C(C(=CC=C4)Cl)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C17H16ClN5O2/c1-9-8-22-13-14(20(3)17(25)21(4)15(13)24)19-16(22)23(9)12-7-5-6-11(18)10(12)2/h5-8H,1-4H3