6-(2-hydroxyethyl)-4,7-dimethyl-2-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-benzyl-6-(2-hydroxyethyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-benzyl-6-(2-hydroxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-benzyl-6-(2-hydroxyethyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C18H19N5O3 MolecularWeight: 353.37516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCO)N(C(=O)N(C3=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCO)N(C(=O)N(C3=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C18H19N5O3/c1-12-10-22-14-15(19-17(22)21(12)8-9-24)20(2)18(26)23(16(14)25)11-13-6-4-3-5-7-13/h3-7,10,24H,8-9,11H2,1-2H3