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

Systemtic Name: 6-(4-butylphenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2/c1-5-6-7-14-8-10-15(11-9-14)24-12(2)13(3)25-16-17(21-19(24)25)23(4)20(27)22-18(16)26/h8-11H,5-7H2,1-4H3,(H,22,26,27)