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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC[NH3+])CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC[NH3+])CC3=CC=CC=C3

InChI

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