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

Systemtic Name: 6-(4-ethanoylphenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-acetylphenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-acetylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-acetylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-acetylphenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)C(=O)C)N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)C(=O)C)N(C(=O)NC3=O)C)C

InChI

InChI=1S/C18H17N5O3/c1-9-10(2)23-14-15(21(4)18(26)20-16(14)25)19-17(23)22(9)13-7-5-12(6-8-13)11(3)24/h5-8H,1-4H3,(H,20,25,26)