3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl-dimethyl-azanium Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propyl-dimethyl-ammonium CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propyl-dimethylammonium IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl-dimethylazanium Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propyl-dimethyl-ammonium Formula: C12H20N5O2+ MolecularWeight: 266.3195

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC[NH+](C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC[NH+](C)C

InChI

InChI=1S/C12H19N5O2/c1-14(2)6-5-7-17-8-13-10-9(17)11(18)16(4)12(19)15(10)3/h8H,5-7H2,1-4H3/p+1