2-azanyl-9-[(5-bromanyl-2,3,4-trimethoxy-1-oxidanyl-2H-pyridin-6-yl)methyl]-6-chloranyl-7H-purin-8-one

Systemtic Name: 2-azanyl-9-[(5-bromanyl-2,3,4-trimethoxy-1-oxidanyl-2H-pyridin-6-yl)methyl]-6-chloranyl-7H-purin-8-one Openeye Name: 2-amino-9-[(5-bromo-1-hydroxy-2,3,4-trimethoxy-2H-pyridin-6-yl)methyl]-6-chloro-7H-purin-8-one CAS Name: 2-amino-9-[(5-bromo-1-hydroxy-2,3,4-trimethoxy-2H-pyridin-6-yl)methyl]-6-chloro-7H-purin-8-one IUPAC Name: 2-amino-9-[(5-bromo-1-hydroxy-2,3,4-trimethoxy-2H-pyridin-6-yl)methyl]-6-chloro-7H-purin-8-one Traditional Name: 2-amino-9-[(5-bromo-1-hydroxy-2,3,4-trimethoxy-2H-pyridin-6-yl)methyl]-6-chloro-7H-purin-8-one Formula: C14H16BrClN6O5 MolecularWeight: 463.67104

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(=C(C(=C(N1O)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O)Br)OC)OC

Isomeric SMILES

COC1C(=C(C(=C(N1O)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O)Br)OC)OC

InChI

InChI=1S/C14H16BrClN6O5/c1-25-8-6(15)5(22(24)12(27-3)9(8)26-2)4-21-11-7(18-14(21)23)10(16)19-13(17)20-11/h12,24H,4H2,1-3H3,(H,18,23)(H2,17,19,20)