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

Systemtic Name: 6-(4-butylphenyl)-2-ethyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-2-ethyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-2-ethyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-2-ethyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-2-ethyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC)C)C

InChI

InChI=1S/C22H27N5O2/c1-6-8-9-16-10-12-17(13-11-16)26-14(3)15(4)27-18-19(23-21(26)27)24(5)22(29)25(7-2)20(18)28/h10-13H,6-9H2,1-5H3