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

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]amino]ethyl-diethyl-azanium Openeye Name: diethyl-[2-[(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)amino]ethyl]ammonium CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)amino]ethyl]ammonium Formula: C16H29N6O2+ MolecularWeight: 337.44046

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H28N6O2/c1-7-21(8-2)10-9-17-15-18-13-12(22(15)11(3)4)14(23)20(6)16(24)19(13)5/h11H,7-10H2,1-6H3,(H,17,18)/p+1