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

Systemtic Name: 7-(3-chloranyl-4-oxidanyl-phenyl)-2,4-dimethyl-6-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(3-chloro-4-hydroxy-phenyl)-2,4-dimethyl-6-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(3-chloro-4-hydroxyphenyl)-2,4-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(3-chloro-4-hydroxyphenyl)-2,4-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(3-chloro-4-hydroxy-phenyl)-2,4-dimethyl-6-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC=C4)C5=CC(=C(C=C5)O)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC=C4)C5=CC(=C(C=C5)O)Cl

InChI

InChI=1S/C21H16ClN5O3/c1-24-18-17(19(29)25(2)21(24)30)26-11-15(12-8-9-16(28)14(22)10-12)27(20(26)23-18)13-6-4-3-5-7-13/h3-11,28H,1-2H3