8-chloranyl-1,3-dimethyl-2-oxidanylidene-purin-6-olate; 2-(diphenylmethyl)oxyethyl-dimethyl-azanium

Systemtic Name: 8-chloranyl-1,3-dimethyl-2-oxidanylidene-purin-6-olate; 2-(diphenylmethyl)oxyethyl-dimethyl-azanium Openeye Name: 2-benzhydryloxyethyl(dimethyl)ammonium; 8-chloro-1,3-dimethyl-2-oxo-purin-6-olate CAS Name: 8-chloro-1,3-dimethyl-2-oxo-6-purinolate; 2-(diphenylmethyl)oxyethyl-dimethylammonium IUPAC Name: 2-benzhydryloxyethyl(dimethyl)azanium; 8-chloro-1,3-dimethyl-2-oxopurin-6-olate Traditional Name: 2-benzhydryloxyethyl(dimethyl)ammonium; 8-chloro-2-keto-1,3-dimethyl-purin-6-olate Formula: C24H28ClN5O3 MolecularWeight: 469.96382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=N2)Cl)N(C1=O)C)[O-].C[NH+](C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CN1C(=C2C(=NC(=N2)Cl)N(C1=O)C)[O-].C[NH+](C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;13H,1-2H3