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

Systemtic Name: 2,4-dimethyl-6-(2-oxidanylidenepropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-acetonyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-acetonyl-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C18H17N5O3 MolecularWeight: 351.35928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

InChI

InChI=1S/C18H17N5O3/c1-11(24)9-22-13(12-7-5-4-6-8-12)10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h4-8,10H,9H2,1-3H3