2-azanyl-9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-3H-purine-6-thione

Systemtic Name: 2-azanyl-9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-3H-purine-6-thione Openeye Name: 2-amino-9-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]-3H-purine-6-thione CAS Name: 2-amino-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-3H-purine-6-thione IUPAC Name: 2-amino-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-3H-purine-6-thione Traditional Name: 2-amino-9-(2-bromo-3,4,5-trimethoxy-benzyl)-3H-purine-6-thione Formula: C15H16BrN5O3S MolecularWeight: 426.28824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C=NC3=C2NC(=NC3=S)N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=NC3=C2NC(=NC3=S)N)Br)OC)OC

InChI

InChI=1S/C15H16BrN5O3S/c1-22-8-4-7(9(16)12(24-3)11(8)23-2)5-21-6-18-10-13(21)19-15(17)20-14(10)25/h4,6H,5H2,1-3H3,(H3,17,19,20,25)