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

Systemtic Name: 6-(5-chloranyl-2-methoxy-phenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(5-chloro-2-methoxy-phenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(5-chloro-2-methoxyphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(5-chloro-2-methoxyphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(5-chloro-2-methoxy-phenyl)-4-methyl-7-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)NC1=O)N3C=C(N(C3=N2)C4=C(C=CC(=C4)Cl)OC)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)C4=C(C=CC(=C4)Cl)OC)C5=CC=CC=C5

InChI

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