4-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[2-(4-ethoxyphenoxy)ethylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[2-(4-ethoxyphenoxy)ethylthio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-2-26-17-8-10-18(11-9-17)27-12-13-28-21-19-14-24-25(20(19)22-15-23-21)16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3