8-bromanyl-9-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 8-bromanyl-9-(phenylmethyl)-3H-purin-6-one Openeye Name: 9-benzyl-8-bromo-3H-purin-6-one CAS Name: 8-bromo-9-(phenylmethyl)-3H-purin-6-one IUPAC Name: 9-benzyl-8-bromo-3H-purin-6-one Traditional Name: 9-benzyl-8-bromo-3H-purin-6-one Formula: C12H9BrN4O MolecularWeight: 305.13006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)N=CN3)N=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)N=CN3)N=C2Br

InChI

InChI=1S/C12H9BrN4O/c13-12-16-9-10(14-7-15-11(9)18)17(12)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15,18)