N-butyl-1-(2-chloranyl-2-phenyl-ethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-butyl-1-(2-chloranyl-2-phenyl-ethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-butyl-1-(2-chloro-2-phenyl-ethyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-1-(2-chloro-2-phenylethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-butyl-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: butyl-[1-(2-chloro-2-phenyl-ethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C17H20ClN5 MolecularWeight: 329.8272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC2=C1C=NN2CC(C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCNC1=NC=NC2=C1C=NN2CC(C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H20ClN5/c1-2-3-9-19-16-14-10-22-23(17(14)21-12-20-16)11-15(18)13-7-5-4-6-8-13/h4-8,10,12,15H,2-3,9,11H2,1H3,(H,19,20,21)