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

Systemtic Name: 6-(4-bromophenyl)-2-(2-ethoxyethyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-bromophenyl)-2-(2-ethoxyethyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-bromophenyl)-2-(2-ethoxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-bromophenyl)-2-(2-ethoxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-bromophenyl)-2-(2-ethoxyethyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H22BrN5O3 MolecularWeight: 460.32438

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=C(C=C4)Br)C)C)N(C1=O)C

Isomeric SMILES

CCOCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=C(C=C4)Br)C)C)N(C1=O)C

InChI

InChI=1S/C20H22BrN5O3/c1-5-29-11-10-24-18(27)16-17(23(4)20(24)28)22-19-25(12(2)13(3)26(16)19)15-8-6-14(21)7-9-15/h6-9H,5,10-11H2,1-4H3