1-(4-fluorophenyl)-4-prop-2-ynylsulfanyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(4-fluorophenyl)-4-prop-2-ynylsulfanyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(4-fluorophenyl)-4-prop-2-ynylsulfanyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-(4-fluorophenyl)-4-(prop-2-ynylthio)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(4-fluorophenyl)-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-fluorophenyl)-4-(propargylthio)pyrazolo[3,4-d]pyrimidine Formula: C14H9FN4S MolecularWeight: 284.311463

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F

Isomeric SMILES

C#CCSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F

InChI

InChI=1S/C14H9FN4S/c1-2-7-20-14-12-8-18-19(13(12)16-9-17-14)11-5-3-10(15)4-6-11/h1,3-6,8-9H,7H2