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

Systemtic Name: 1-(2-chloranyl-2-phenyl-ethyl)-6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(2-chloro-2-phenylethyl)-6-(ethylthio)-4-(1-piperidinyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(2-chloro-2-phenylethyl)-6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidine Formula: C20H24ClN5S MolecularWeight: 401.95606

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)N4CCCCC4

InChI

InChI=1S/C20H24ClN5S/c1-2-27-20-23-18(25-11-7-4-8-12-25)16-13-22-26(19(16)24-20)14-17(21)15-9-5-3-6-10-15/h3,5-6,9-10,13,17H,2,4,7-8,11-12,14H2,1H3