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

Systemtic Name: 4-[2-(3-chloranylphenoxy)ethylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[2-(3-chlorophenoxy)ethylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[2-(3-chlorophenoxy)ethylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[2-(3-chlorophenoxy)ethylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[2-(3-chlorophenoxy)ethylthio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C14H13ClN4OS MolecularWeight: 320.79722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCOC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCOC3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H13ClN4OS/c1-19-13-12(8-18-19)14(17-9-16-13)21-6-5-20-11-4-2-3-10(15)7-11/h2-4,7-9H,5-6H2,1H3