3-(2-dimethylaminoethyl)-1-methyl-purin-3-ium-2,6-dione

Systemtic Name: 3-(2-dimethylaminoethyl)-1-methyl-purin-3-ium-2,6-dione Openeye Name: 3-(2-dimethylaminoethyl)-1-methyl-purin-3-ium-2,6-dione CAS Name: 3-(2-dimethylaminoethyl)-1-methylpurin-3-ium-2,6-dione IUPAC Name: 3-(2-dimethylaminoethyl)-1-methylpurin-3-ium-2,6-dione Traditional Name: 3-(2-dimethylaminoethyl)-1-methyl-purin-3-ium-2,6-quinone Formula: C10H14N5O2+ MolecularWeight: 236.25046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC=NC2=[N+](C1=O)CCN(C)C

Isomeric SMILES

CN1C(=O)C2=NC=NC2=[N+](C1=O)CCN(C)C

InChI

InChI=1S/C10H14N5O2/c1-13(2)4-5-15-8-7(11-6-12-8)9(16)14(3)10(15)17/h6H,4-5H2,1-3H3/q+1