3,5-dimethyl-4-(9-methylpurin-6-yl)piperazine-1-carboxylate

Systemtic Name: 3,5-dimethyl-4-(9-methylpurin-6-yl)piperazine-1-carboxylate Openeye Name: 3,5-dimethyl-4-(9-methylpurin-6-yl)piperazine-1-carboxylate CAS Name: 3,5-dimethyl-4-(9-methyl-6-purinyl)-1-piperazinecarboxylate IUPAC Name: 3,5-dimethyl-4-(9-methylpurin-6-yl)piperazine-1-carboxylate Traditional Name: 3,5-dimethyl-4-(9-methylpurin-6-yl)piperazine-1-carboxylate Formula: C13H17N6O2- MolecularWeight: 289.31308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2=NC=NC3=C2N=CN3C)C)C(=O)[O-]

Isomeric SMILES

CC1CN(CC(N1C2=NC=NC3=C2N=CN3C)C)C(=O)[O-]

InChI

InChI=1S/C13H18N6O2/c1-8-4-18(13(20)21)5-9(2)19(8)12-10-11(14-6-15-12)17(3)7-16-10/h6-9H,4-5H2,1-3H3,(H,20,21)/p-1