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

Systemtic Name: 4-[1-(2-chloranyl-2-phenyl-ethyl)-6-ethylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine Openeye Name: 4-[1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine CAS Name: 4-[1-(2-chloro-2-phenylethyl)-6-(ethylthio)-4-pyrazolo[3,4-d]pyrimidinyl]morpholine IUPAC Name: 4-[1-(2-chloro-2-phenylethyl)-6-ethylsulfanylpyrazolo[3,4-d]pyrimidin-4-yl]morpholine Traditional Name: 4-[1-(2-chloro-2-phenyl-ethyl)-6-(ethylthio)pyrazolo[3,4-d]pyrimidin-4-yl]morpholine Formula: C19H22ClN5OS MolecularWeight: 403.92888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)N4CCOCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)N4CCOCC4

InChI

InChI=1S/C19H22ClN5OS/c1-2-27-19-22-17(24-8-10-26-11-9-24)15-12-21-25(18(15)23-19)13-16(20)14-6-4-3-5-7-14/h3-7,12,16H,2,8-11,13H2,1H3