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

Systemtic Name: 2-[[3,7-dimethyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-8-yl]amino]ethylazanium Openeye Name: 2-[(1-benzyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)amino]ethylammonium CAS Name: 2-[[3,7-dimethyl-2,6-dioxo-1-(phenylmethyl)-8-purinyl]amino]ethylammonium IUPAC Name: 2-[(1-benzyl-3,7-dimethyl-2,6-dioxopurin-8-yl)amino]ethylazanium Traditional Name: 2-[(1-benzyl-2,6-diketo-3,7-dimethyl-purin-8-yl)amino]ethylammonium Formula: C16H21N6O2+ MolecularWeight: 329.37694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC[NH3+])N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1NCC[NH3+])N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C16H20N6O2/c1-20-12-13(19-15(20)18-9-8-17)21(2)16(24)22(14(12)23)10-11-6-4-3-5-7-11/h3-7H,8-10,17H2,1-2H3,(H,18,19)/p+1