1,3-dimethyl-8-[4-(2-methylpropanoyl)piperazin-1-yl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-(2-methylpropanoyl)piperazin-1-yl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-(2-methylpropanoyl)piperazin-1-yl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-(2-methylpropanoyl)piperazin-1-yl]-7H-purine-2,6-dione Traditional Name: 8-(4-isobutyrylpiperazino)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C15H22N6O3 MolecularWeight: 334.37358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H22N6O3/c1-9(2)12(22)20-5-7-21(8-6-20)14-16-10-11(17-14)18(3)15(24)19(4)13(10)23/h9H,5-8H2,1-4H3,(H,16,17)