[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl-phenethyl-azanium

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl-phenethyl-azanium Openeye Name: (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl-phenethyl-ammonium CAS Name: (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl-phenethylammonium IUPAC Name: (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl-phenethylazanium Traditional Name: (2,6-diketo-1,3-dimethyl-7H-purin-8-yl)methyl-phenethyl-ammonium Formula: C16H20N5O2+ MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O2/c1-20-14-13(15(22)21(2)16(20)23)18-12(19-14)10-17-9-8-11-6-4-3-5-7-11/h3-7,17H,8-10H2,1-2H3,(H,18,19)/p+1