3-(4-chlorophenyl)-1-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(4-chlorophenyl)-1-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-chlorophenyl)-1-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-chlorophenyl)-1-(2,2-dimethylpropyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-chlorophenyl)-1-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-chlorophenyl)-1-neopentyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C16H18ClN5 MolecularWeight: 315.80062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C(=N1)C3=CC=C(C=C3)Cl)C(=NC=N2)N

Isomeric SMILES

CC(C)(C)CN1C2=C(C(=N1)C3=CC=C(C=C3)Cl)C(=NC=N2)N

InChI

InChI=1S/C16H18ClN5/c1-16(2,3)8-22-15-12(14(18)19-9-20-15)13(21-22)10-4-6-11(17)7-5-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)