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

Systemtic Name: 2-[[7-[(3-bromophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[7-(3-bromobenzyl)-2,6-diketo-3-methyl-purin-8-yl]amino]ethyl-dimethyl-ammonium Formula: C17H22BrN6O2+ MolecularWeight: 422.29958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH+](C)C)CC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC[NH+](C)C)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H21BrN6O2/c1-22(2)8-7-19-16-20-14-13(15(25)21-17(26)23(14)3)24(16)10-11-5-4-6-12(18)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,19,20)(H,21,25,26)/p+1