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

Systemtic Name: 1-(2-chloranyl-2-phenyl-ethyl)-6-methylsulfanyl-N-propyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2-chloro-2-phenyl-ethyl)-6-methylsulfanyl-N-propyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-propyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2-chloro-2-phenylethyl)-6-methylsulfanyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2-chloro-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-propyl-amine Formula: C17H20ClN5S MolecularWeight: 361.8922

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1C=NN2CC(C3=CC=CC=C3)Cl)SC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=NN2CC(C3=CC=CC=C3)Cl)SC

InChI

InChI=1S/C17H20ClN5S/c1-3-9-19-15-13-10-20-23(16(13)22-17(21-15)24-2)11-14(18)12-7-5-4-6-8-12/h4-8,10,14H,3,9,11H2,1-2H3,(H,19,21,22)