8-chloranyl-1,3-dimethyl-7H-purine-2,6-dione; 2-(1,1-diphenylethoxy)-N,N-dimethyl-ethanamine

Systemtic Name: 8-chloranyl-1,3-dimethyl-7H-purine-2,6-dione; 2-(1,1-diphenylethoxy)-N,N-dimethyl-ethanamine Openeye Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; 2-(1,1-diphenylethoxy)-N,N-dimethyl-ethanamine CAS Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; 2-(1,1-diphenylethoxy)-N,N-dimethylethanamine IUPAC Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; 2-(1,1-diphenylethoxy)-N,N-dimethylethanamine Traditional Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-quinone; 2-(1,1-diphenylethoxy)ethyl-dimethyl-amine Formula: C25H30ClN5O3 MolecularWeight: 483.9904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN(C)C.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN(C)C.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl

InChI

InChI=1S/C18H23NO.C7H7ClN4O2/c1-18(20-15-14-19(2)3,16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-13H,14-15H2,1-3H3;1-2H3,(H,9,10)