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

Systemtic Name: dimethyl-[2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)amino]ethyl]azanium Traditional Name: 2-[(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)amino]ethyl-dimethyl-ammonium Formula: C18H25N6O2+ MolecularWeight: 357.4301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH+](C)C)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH+](C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2/c1-22(2)12-10-19-17-20-15-14(16(25)21-18(26)23(15)3)24(17)11-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,20)(H,21,25,26)/p+1