N-[9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-6-chloranyl-purin-2-yl]ethanamide

Systemtic Name: N-[9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-6-chloranyl-purin-2-yl]ethanamide Openeye Name: N-[9-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]-6-chloro-purin-2-yl]acetamide CAS Name: N-[9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-6-chloro-2-purinyl]acetamide IUPAC Name: N-[9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-6-chloropurin-2-yl]acetamide Traditional Name: N-[9-(2-bromo-3,4,5-trimethoxy-benzyl)-6-chloro-purin-2-yl]acetamide Formula: C17H17BrClN5O4 MolecularWeight: 470.70498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2CC3=CC(=C(C(=C3Br)OC)OC)OC

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2CC3=CC(=C(C(=C3Br)OC)OC)OC

InChI

InChI=1S/C17H17BrClN5O4/c1-8(25)21-17-22-15(19)12-16(23-17)24(7-20-12)6-9-5-10(26-2)13(27-3)14(28-4)11(9)18/h5,7H,6H2,1-4H3,(H,21,22,23,25)