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

Systemtic Name: dimethyl-[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(2-phenoxyethyl)purin-8-yl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-8-purinyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[3-methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]amino]ethyl]azanium Traditional Name: 2-[[2,6-diketo-3-methyl-7-(2-phenoxyethyl)purin-8-yl]amino]ethyl-dimethyl-ammonium Formula: C18H25N6O3+ MolecularWeight: 373.4295

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH+](C)C)CCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH+](C)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O3/c1-22(2)10-9-19-17-20-15-14(16(25)21-18(26)23(15)3)24(17)11-12-27-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,20)(H,21,25,26)/p+1