7-(2-diethylaminoethyl)-3-(phenylmethyl)-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-(2-diethylaminoethyl)-3-(phenylmethyl)-9H-purin-7-ium-2,6-dione Openeye Name: 3-benzyl-7-(2-diethylaminoethyl)-9H-purin-7-ium-2,6-dione CAS Name: 7-(2-diethylaminoethyl)-3-(phenylmethyl)-9H-purin-7-ium-2,6-dione IUPAC Name: 3-benzyl-7-(2-diethylaminoethyl)-9H-purin-7-ium-2,6-dione Traditional Name: 3-benzyl-7-(2-diethylaminoethyl)-9H-purin-7-ium-2,6-quinone Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=CNC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CC[N+]1=CNC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-3-21(4-2)10-11-22-13-19-16-15(22)17(24)20-18(25)23(16)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,20,24,25)/p+1