8-chloranyl-1-methyl-2,6-bis(oxidanylidene)-7H-purine-3-carboxylic acid; 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine

Systemtic Name: 8-chloranyl-1-methyl-2,6-bis(oxidanylidene)-7H-purine-3-carboxylic acid; 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine Openeye Name: 2-benzhydryloxy-N,N-dimethyl-ethanamine; 8-chloro-1-methyl-2,6-dioxo-7H-purine-3-carboxylic acid CAS Name: 8-chloro-1-methyl-2,6-dioxo-7H-purine-3-carboxylic acid; 2-(diphenylmethyl)oxy-N,N-dimethylethanamine IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine; 8-chloro-1-methyl-2,6-dioxo-7H-purine-3-carboxylic acid Traditional Name: 2-benzhydryloxyethyl(dimethyl)amine; 8-chloro-2,6-diketo-1-methyl-7H-purine-3-carboxylic acid Formula: C24H26ClN5O5 MolecularWeight: 499.94674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)Cl)N(C1=O)C(=O)O.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)Cl)N(C1=O)C(=O)O.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO.C7H5ClN4O4/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4(13)2-3(10-5(8)9-2)12(6(11)14)7(15)16/h3-12,17H,13-14H2,1-2H3;1H3,(H,9,10)(H,15,16)