7-(4-chlorophenyl)-6-(3-methoxyphenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(4-chlorophenyl)-6-(3-methoxyphenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-chlorophenyl)-6-(3-methoxyphenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-chlorophenyl)-6-(3-methoxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-chlorophenyl)-6-(3-methoxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-chlorophenyl)-6-(3-methoxyphenyl)-4-methyl-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=CC(=CC=C4)OC)C5=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

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