diethyl-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-9H-purin-8-ylidene]azanium

Systemtic Name: diethyl-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-9H-purin-8-ylidene]azanium Openeye Name: (7-benzyl-3-methyl-2,6-dioxo-9H-purin-8-ylidene)-diethyl-ammonium CAS Name: diethyl-[3-methyl-2,6-dioxo-7-(phenylmethyl)-9H-purin-8-ylidene]ammonium IUPAC Name: (7-benzyl-3-methyl-2,6-dioxo-9H-purin-8-ylidene)-diethylazanium Traditional Name: (7-benzyl-2,6-diketo-3-methyl-9H-purin-8-ylidene)-diethyl-ammonium Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C)CC

Isomeric SMILES

CC[N+](=C1NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C)CC

InChI

InChI=1S/C17H21N5O2/c1-4-21(5-2)16-18-14-13(15(23)19-17(24)20(14)3)22(16)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3,(H,19,23,24)/p+1