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

Systemtic Name: 4,7,8-trimethyl-2-(2-oxidanylidenepropyl)-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-isopropyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-(2-oxopropyl)-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-(2-oxopropyl)-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-isopropyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C16H21N5O3 MolecularWeight: 331.36964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CC(=O)C)C(C)C)C

Isomeric SMILES

CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CC(=O)C)C(C)C)C

InChI

InChI=1S/C16H21N5O3/c1-8(2)20-10(4)11(5)21-12-13(17-15(20)21)18(6)16(24)19(14(12)23)7-9(3)22/h8H,7H2,1-6H3