8-chloranyl-1,3-dimethyl-4H-purine-2,6-dione; 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine

Systemtic Name: 8-chloranyl-1,3-dimethyl-4H-purine-2,6-dione; 2-(diphenylmethyl)oxy-N,N-dimethyl-ethanamine Openeye Name: 2-benzhydryloxy-N,N-dimethyl-ethanamine; 8-chloro-1,3-dimethyl-4H-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-4H-purine-2,6-dione; 2-(diphenylmethyl)oxy-N,N-dimethylethanamine IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine; 8-chloro-1,3-dimethyl-4H-purine-2,6-dione Traditional Name: 2-benzhydryloxyethyl(dimethyl)amine; 8-chloro-1,3-dimethyl-4H-purine-2,6-quinone Formula: C24H28ClN5O3 MolecularWeight: 469.96382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(=NC(=N2)Cl)C(=O)N(C1=O)C.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CN1C2C(=NC(=N2)Cl)C(=O)N(C1=O)C.CN(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;4H,1-2H3