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

Systemtic Name: 2-[[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-purin-8-yl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[1,3-dimethyl-7-(1-naphthalenylmethyl)-2,6-dioxo-8-purinyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]amino]ethyl-diethylazanium Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(1-naphthylmethyl)purin-8-yl]amino]ethyl-diethyl-ammonium Formula: C24H31N6O2+ MolecularWeight: 435.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C24H30N6O2/c1-5-29(6-2)15-14-25-23-26-21-20(22(31)28(4)24(32)27(21)3)30(23)16-18-12-9-11-17-10-7-8-13-19(17)18/h7-13H,5-6,14-16H2,1-4H3,(H,25,26)/p+1