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

Systemtic Name: 1-(2-chloranyl-2-phenyl-ethyl)-N-(3-chlorophenyl)-6-ethylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-chlorophenyl)-1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-chlorophenyl)-1-(2-chloro-2-phenylethyl)-6-(ethylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-1-(2-chloro-2-phenylethyl)-6-ethylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-chlorophenyl)-[1-(2-chloro-2-phenyl-ethyl)-6-(ethylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H19Cl2N5S MolecularWeight: 444.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19Cl2N5S/c1-2-29-21-26-19(25-16-10-6-9-15(22)11-16)17-12-24-28(20(17)27-21)13-18(23)14-7-4-3-5-8-14/h3-12,18H,2,13H2,1H3,(H,25,26,27)