1-(2-chloranyl-2-phenyl-ethyl)-6-methylsulfanyl-4-pyrrol-1-yl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(2-chloranyl-2-phenyl-ethyl)-6-methylsulfanyl-4-pyrrol-1-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(2-chloro-2-phenyl-ethyl)-6-methylsulfanyl-4-pyrrol-1-yl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-(2-chloro-2-phenylethyl)-6-(methylthio)-4-(1-pyrrolyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(2-chloro-2-phenylethyl)-6-methylsulfanyl-4-pyrrol-1-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-6-(methylthio)-4-pyrrol-1-yl-pyrazolo[3,4-d]pyrimidine Formula: C18H16ClN5S MolecularWeight: 369.87114

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)N4C=CC=C4

Isomeric SMILES

CSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)N4C=CC=C4

InChI

InChI=1S/C18H16ClN5S/c1-25-18-21-16(23-9-5-6-10-23)14-11-20-24(17(14)22-18)12-15(19)13-7-3-2-4-8-13/h2-11,15H,12H2,1H3