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

Systemtic Name: 2-[[7-[(3-bromophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]amino]ethyl-diethylazanium Traditional Name: 2-[[7-(3-bromobenzyl)-2,6-diketo-3-methyl-purin-8-yl]amino]ethyl-diethyl-ammonium Formula: C19H26BrN6O2+ MolecularWeight: 450.35274

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H25BrN6O2/c1-4-25(5-2)10-9-21-18-22-16-15(17(27)23-19(28)24(16)3)26(18)12-13-7-6-8-14(20)11-13/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,21,22)(H,23,27,28)/p+1