2-butyl-6-(3-chlorophenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-butyl-6-(3-chlorophenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-6-(3-chlorophenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-6-(3-chlorophenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-6-(3-chlorophenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-6-(3-chlorophenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC(=CC=C4)Cl)C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC(=CC=C4)Cl)C)C)N(C1=O)C

InChI

InChI=1S/C20H22ClN5O2/c1-5-6-10-24-18(27)16-17(23(4)20(24)28)22-19-25(12(2)13(3)26(16)19)15-9-7-8-14(21)11-15/h7-9,11H,5-6,10H2,1-4H3