8-(bromomethyl)-9-(2,2-dimethylpropyl)purine-2-carbonitrile

Systemtic Name: 8-(bromomethyl)-9-(2,2-dimethylpropyl)purine-2-carbonitrile Openeye Name: 8-(bromomethyl)-9-(2,2-dimethylpropyl)purine-2-carbonitrile CAS Name: 8-(bromomethyl)-9-(2,2-dimethylpropyl)-2-purinecarbonitrile IUPAC Name: 8-(bromomethyl)-9-(2,2-dimethylpropyl)purine-2-carbonitrile Traditional Name: 8-(bromomethyl)-9-neopentyl-purine-2-carbonitrile Formula: C12H14BrN5 MolecularWeight: 308.17706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=NC2=CN=C(N=C21)C#N)CBr

Isomeric SMILES

CC(C)(C)CN1C(=NC2=CN=C(N=C21)C#N)CBr

InChI

InChI=1S/C12H14BrN5/c1-12(2,3)7-18-10(4-13)16-8-6-15-9(5-14)17-11(8)18/h6H,4,7H2,1-3H3