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

Systemtic Name: 4-[2-(2-chloranylphenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[2-(2-chlorophenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[2-(2-chlorophenoxy)ethylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[2-(2-chlorophenoxy)ethylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[2-(2-chlorophenoxy)ethylthio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C19H15ClN4OS MolecularWeight: 382.8666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCOC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCOC4=CC=CC=C4Cl

InChI

InChI=1S/C19H15ClN4OS/c20-16-8-4-5-9-17(16)25-10-11-26-19-15-12-23-24(18(15)21-13-22-19)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2