dimethyl-[3-[7-methyl-2,6-bis(oxidanylidene)purin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[7-methyl-2,6-bis(oxidanylidene)purin-3-yl]propyl]azanium Openeye Name: dimethyl-[3-(7-methyl-2,6-dioxo-purin-3-yl)propyl]ammonium CAS Name: dimethyl-[3-(7-methyl-2,6-dioxo-3-purinyl)propyl]ammonium IUPAC Name: dimethyl-[3-(7-methyl-2,6-dioxopurin-3-yl)propyl]azanium Traditional Name: 3-(2,6-diketo-7-methyl-purin-3-yl)propyl-dimethyl-ammonium Formula: C11H18N5O2+ MolecularWeight: 252.29292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)NC(=O)N2CCC[NH+](C)C

Isomeric SMILES

CN1C=NC2=C1C(=O)NC(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C11H17N5O2/c1-14(2)5-4-6-16-9-8(15(3)7-12-9)10(17)13-11(16)18/h7H,4-6H2,1-3H3,(H,13,17,18)/p+1