2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-purin-8-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-8-purinyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7-phenethylpurin-8-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-phenethyl-purin-8-yl)amino]ethyl-dimethyl-ammonium Formula: C19H27N6O2+ MolecularWeight: 371.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC[NH+](C)C)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC[NH+](C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C19H26N6O2/c1-22(2)13-11-20-18-21-16-15(17(26)24(4)19(27)23(16)3)25(18)12-10-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H,20,21)/p+1