6-(5-chloranyl-2-oxidanyl-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(5-chloranyl-2-oxidanyl-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(5-chloro-2-hydroxy-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(5-chloro-2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(5-chloro-2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(5-chloro-2-hydroxy-phenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C16H14ClN5O3 MolecularWeight: 359.76706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=C(C=CC(=C4)Cl)O)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=C(C=CC(=C4)Cl)O)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C16H14ClN5O3/c1-7-8(2)22-12-13(20(3)16(25)19-14(12)24)18-15(22)21(7)10-6-9(17)4-5-11(10)23/h4-6,23H,1-3H3,(H,19,24,25)