2-azanyl-9-[(3-bromanyl-4,5,6-trimethoxy-pyridin-2-yl)methyl]-6-chloranyl-7H-purin-8-one

Systemtic Name: 2-azanyl-9-[(3-bromanyl-4,5,6-trimethoxy-pyridin-2-yl)methyl]-6-chloranyl-7H-purin-8-one Openeye Name: 2-amino-9-[(3-bromo-4,5,6-trimethoxy-2-pyridyl)methyl]-6-chloro-7H-purin-8-one CAS Name: 2-amino-9-[(3-bromo-4,5,6-trimethoxy-2-pyridinyl)methyl]-6-chloro-7H-purin-8-one IUPAC Name: 2-amino-9-[(3-bromo-4,5,6-trimethoxypyridin-2-yl)methyl]-6-chloro-7H-purin-8-one Traditional Name: 2-amino-9-[(3-bromo-4,5,6-trimethoxy-2-pyridyl)methyl]-6-chloro-7H-purin-8-one Formula: C14H14BrClN6O4 MolecularWeight: 445.65576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC(=C1Br)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O)OC)OC

Isomeric SMILES

COC1=C(C(=NC(=C1Br)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O)OC)OC

InChI

InChI=1S/C14H14BrClN6O4/c1-24-8-6(15)5(18-12(26-3)9(8)25-2)4-22-11-7(19-14(22)23)10(16)20-13(17)21-11/h4H2,1-3H3,(H,19,23)(H2,17,20,21)