9-[(3-bromophenyl)methyl]-1-oxidanyl-purin-6-imine

Systemtic Name: 9-[(3-bromophenyl)methyl]-1-oxidanyl-purin-6-imine Openeye Name: 9-[(3-bromophenyl)methyl]-1-hydroxy-purin-6-imine CAS Name: 9-[(3-bromophenyl)methyl]-1-hydroxy-6-purinimine IUPAC Name: 9-[(3-bromophenyl)methyl]-1-hydroxypurin-6-imine Traditional Name: [9-(3-bromobenzyl)-1-hydroxy-purin-6-ylidene]amine Formula: C12H10BrN5O MolecularWeight: 320.1447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C=NC3=C2N=CN(C3=N)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C=NC3=C2N=CN(C3=N)O

InChI

InChI=1S/C12H10BrN5O/c13-9-3-1-2-8(4-9)5-17-6-15-10-11(14)18(19)7-16-12(10)17/h1-4,6-7,14,19H,5H2