2-[4-chloranyl-5-[2-chloranyl-9-(oxan-2-yl)purin-6-yl]-2-methyl-phenoxy]-N,N-diethyl-ethanamine

Systemtic Name: 2-[4-chloranyl-5-[2-chloranyl-9-(oxan-2-yl)purin-6-yl]-2-methyl-phenoxy]-N,N-diethyl-ethanamine Openeye Name: 2-[4-chloro-5-(2-chloro-9-tetrahydropyran-2-yl-purin-6-yl)-2-methyl-phenoxy]-N,N-diethyl-ethanamine CAS Name: 2-[4-chloro-5-[2-chloro-9-(2-oxanyl)-6-purinyl]-2-methylphenoxy]-N,N-diethylethanamine IUPAC Name: 2-[4-chloro-5-[2-chloro-9-(oxan-2-yl)purin-6-yl]-2-methylphenoxy]-N,N-diethylethanamine Traditional Name: 2-[4-chloro-5-(2-chloro-9-tetrahydropyran-2-yl-purin-6-yl)-2-methyl-phenoxy]ethyl-diethyl-amine Formula: C23H29Cl2N5O2 MolecularWeight: 478.41466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C(=C1)C2=C3C(=NC(=N2)Cl)N(C=N3)C4CCCCO4)Cl)C

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C(=C1)C2=C3C(=NC(=N2)Cl)N(C=N3)C4CCCCO4)Cl)C

InChI

InChI=1S/C23H29Cl2N5O2/c1-4-29(5-2)9-11-31-18-13-16(17(24)12-15(18)3)20-21-22(28-23(25)27-20)30(14-26-21)19-8-6-7-10-32-19/h12-14,19H,4-11H2,1-3H3