N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-[(4-chlorophenyl)methyl]-N-sec-butyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butan-2-yl-1-[(4-chlorophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(4-chlorobenzyl)pyrazolo[3,4-d]pyrimidin-4-yl]-sec-butyl-amine Formula: C16H18ClN5 MolecularWeight: 315.80062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC2=C1C=NN2CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)NC1=NC=NC2=C1C=NN2CC3=CC=C(C=C3)Cl

InChI

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