6-[2,4-bis(chloranyl)-5-phenylmethoxy-phenyl]-2-methylsulfanyl-7H-purine

Systemtic Name: 6-[2,4-bis(chloranyl)-5-phenylmethoxy-phenyl]-2-methylsulfanyl-7H-purine Openeye Name: 6-(5-benzyloxy-2,4-dichloro-phenyl)-2-methylsulfanyl-7H-purine CAS Name: 6-(2,4-dichloro-5-phenylmethoxyphenyl)-2-(methylthio)-7H-purine IUPAC Name: 6-(2,4-dichloro-5-phenylmethoxyphenyl)-2-methylsulfanyl-7H-purine Traditional Name: 6-(5-benzoxy-2,4-dichloro-phenyl)-2-(methylthio)-7H-purine Formula: C19H14Cl2N4OS MolecularWeight: 417.31166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C(=N1)N=CN2)C3=CC(=C(C=C3Cl)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=C2C(=N1)N=CN2)C3=CC(=C(C=C3Cl)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C19H14Cl2N4OS/c1-27-19-24-16(17-18(25-19)23-10-22-17)12-7-15(14(21)8-13(12)20)26-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,22,23,24,25)