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

Systemtic Name: 2-[[3,7-dimethyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-8-yl]amino]ethyl-diethyl-azanium Openeye Name: 2-[(1-benzyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[3,7-dimethyl-2,6-dioxo-1-(phenylmethyl)-8-purinyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(1-benzyl-3,7-dimethyl-2,6-dioxopurin-8-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(1-benzyl-2,6-diketo-3,7-dimethyl-purin-8-yl)amino]ethyl-diethyl-ammonium Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N6O2/c1-5-25(6-2)13-12-21-19-22-17-16(23(19)3)18(27)26(20(28)24(17)4)14-15-10-8-7-9-11-15/h7-11H,5-6,12-14H2,1-4H3,(H,21,22)/p+1