4-(bromomethyl)-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Systemtic Name: 4-(bromomethyl)-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 4-(bromomethyl)-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 4-(bromomethyl)-7-(2,2-dimethylpropyl)-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-(bromomethyl)-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 4-(bromomethyl)-7-neopentyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C13H15BrN4 MolecularWeight: 307.189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=CC2=C(N=C(N=C21)C#N)CBr

Isomeric SMILES

CC(C)(C)CN1C=CC2=C(N=C(N=C21)C#N)CBr

InChI

InChI=1S/C13H15BrN4/c1-13(2,3)8-18-5-4-9-10(6-14)16-11(7-15)17-12(9)18/h4-5H,6,8H2,1-3H3