8-chloranyl-1,3-dimethyl-7H-purine-2,6-dione; 3-[(diphenylmethyl)oxymethyl]-1-methyl-piperidine

Systemtic Name: 8-chloranyl-1,3-dimethyl-7H-purine-2,6-dione; 3-[(diphenylmethyl)oxymethyl]-1-methyl-piperidine Openeye Name: 3-(benzhydryloxymethyl)-1-methyl-piperidine; 8-chloro-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; 3-[(diphenylmethyl)oxymethyl]-1-methylpiperidine IUPAC Name: 3-(benzhydryloxymethyl)-1-methylpiperidine; 8-chloro-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 3-(benzhydryloxymethyl)-1-methyl-piperidine; 8-chloro-1,3-dimethyl-7H-purine-2,6-quinone Formula: C27H32ClN5O3 MolecularWeight: 510.02768

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)COC(C2=CC=CC=C2)C3=CC=CC=C3.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl

Isomeric SMILES

CN1CCCC(C1)COC(C2=CC=CC=C2)C3=CC=CC=C3.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl

InChI

InChI=1S/C20H25NO.C7H7ClN4O2/c1-21-14-8-9-17(15-21)16-22-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-7,10-13,17,20H,8-9,14-16H2,1H3;1-2H3,(H,9,10)