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

Systemtic Name: 4,7,8-trimethyl-2-(2-oxidanylidenepropyl)-6-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-4,7,8-trimethyl-6-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-(2-oxopropyl)-6-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-(2-oxopropyl)-6-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-4,7,8-trimethyl-6-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H19N5O3 MolecularWeight: 365.38586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC(=O)C)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CC(=O)C)C)C

InChI

InChI=1S/C19H19N5O3/c1-11(25)10-22-17(26)15-16(21(4)19(22)27)20-18-23(12(2)13(3)24(15)18)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3