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

Systemtic Name: 2-azanyl-6-bromanyl-9-[(4-iodanyl-3,5-dimethyl-1-oxidanyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one Openeye Name: 2-amino-6-bromo-9-[(1-hydroxy-4-iodo-3,5-dimethyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one CAS Name: 2-amino-6-bromo-9-[(1-hydroxy-4-iodo-3,5-dimethyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one IUPAC Name: 2-amino-6-bromo-9-[(1-hydroxy-4-iodo-3,5-dimethyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one Traditional Name: 2-amino-6-bromo-9-[(1-hydroxy-4-iodo-3,5-dimethyl-2H-pyridin-6-yl)methyl]-7H-purin-8-one Formula: C13H14BrIN6O2 MolecularWeight: 493.09773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N(C1)O)CN2C3=C(C(=NC(=N3)N)Br)NC2=O)C)I

Isomeric SMILES

CC1=C(C(=C(N(C1)O)CN2C3=C(C(=NC(=N3)N)Br)NC2=O)C)I

InChI

InChI=1S/C13H14BrIN6O2/c1-5-3-21(23)7(6(2)8(5)15)4-20-11-9(17-13(20)22)10(14)18-12(16)19-11/h23H,3-4H2,1-2H3,(H,17,22)(H2,16,18,19)