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

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(7-benzyl-2,6-diketo-1,3-dimethyl-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)N(C1=O)C)N(C(=N2)NCC[NH+](C)C)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC[NH+](C)C)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2/c1-21(2)11-10-19-17-20-15-14(16(25)23(4)18(26)22(15)3)24(17)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,19,20)/p+1