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

Systemtic Name: 6-(3-chloranyl-2-methyl-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-2-methyl-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-2-methylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-2-methylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-2-methyl-phenyl)-4,7,8-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=C(C=CC=C1Cl)N2C(=C(N3C2=NC4=C3C(=O)NC(=O)N4C)C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(N3C2=NC4=C3C(=O)NC(=O)N4C)C)C

InChI

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