8-bromanyl-9-(phenylmethyl)-2-(trichloromethyl)purin-6-amine

Systemtic Name: 8-bromanyl-9-(phenylmethyl)-2-(trichloromethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-(trichloromethyl)purin-6-amine CAS Name: 8-bromo-9-(phenylmethyl)-2-(trichloromethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-(trichloromethyl)purin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(trichloromethyl)purin-6-yl]amine Formula: C13H9BrCl3N5 MolecularWeight: 421.50706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(Cl)(Cl)Cl)N)N=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(Cl)(Cl)Cl)N)N=C2Br

InChI

InChI=1S/C13H9BrCl3N5/c14-12-19-8-9(18)20-11(13(15,16)17)21-10(8)22(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,18,20,21)