2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diethyl-ethanamine

Systemtic Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diethyl-ethanamine Openeye Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diethyl-ethanamine CAS Name: 2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N,N-diethylethanamine IUPAC Name: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diethylethanamine Traditional Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]ethyl-diethyl-amine Formula: C17H20ClN5S MolecularWeight: 361.8922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CCSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5S/c1-3-22(4-2)9-10-24-17-15-11-21-23(16(15)19-12-20-17)14-7-5-13(18)6-8-14/h5-8,11-12H,3-4,9-10H2,1-2H3