1-(2-chloranyl-2-phenyl-ethyl)-N-(phenylmethyl)-6-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(2-chloranyl-2-phenyl-ethyl)-N-(phenylmethyl)-6-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-1-(2-chloro-2-phenyl-ethyl)-6-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-chloro-2-phenylethyl)-N-(phenylmethyl)-6-(propylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-benzyl-1-(2-chloro-2-phenylethyl)-6-propylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-(propylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C23H24ClN5S MolecularWeight: 437.98816

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)NCC4=CC=CC=C4

Isomeric SMILES

CCCSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)NCC4=CC=CC=C4

InChI

InChI=1S/C23H24ClN5S/c1-2-13-30-23-27-21(25-14-17-9-5-3-6-10-17)19-15-26-29(22(19)28-23)16-20(24)18-11-7-4-8-12-18/h3-12,15,20H,2,13-14,16H2,1H3,(H,25,27,28)