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

Systemtic Name: N-butyl-1-(2-chloranyl-2-phenyl-ethyl)-6-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-butyl-1-(2-chloro-2-phenyl-ethyl)-6-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-1-(2-chloro-2-phenylethyl)-6-(propylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-butyl-1-(2-chloro-2-phenylethyl)-6-propylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: butyl-[1-(2-chloro-2-phenyl-ethyl)-6-(propylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H26ClN5S MolecularWeight: 403.97194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN5S/c1-3-5-11-22-18-16-13-23-26(14-17(21)15-9-7-6-8-10-15)19(16)25-20(24-18)27-12-4-2/h6-10,13,17H,3-5,11-12,14H2,1-2H3,(H,22,24,25)