9-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-chloranyl-purin-2-amine

Systemtic Name: 9-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6-chloro-purin-2-amine CAS Name: 9-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-chloro-2-purinamine IUPAC Name: 9-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-chloropurin-2-amine Traditional Name: [9-(2-bromo-4,5-dimethoxy-benzyl)-6-chloro-purin-2-yl]amine Formula: C14H13BrClN5O2 MolecularWeight: 398.64232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)Br)OC

InChI

InChI=1S/C14H13BrClN5O2/c1-22-9-3-7(8(15)4-10(9)23-2)5-21-6-18-11-12(16)19-14(17)20-13(11)21/h3-4,6H,5H2,1-2H3,(H2,17,19,20)