1-phenyl-4-prop-2-ynylsulfanyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-phenyl-4-prop-2-ynylsulfanyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-4-prop-2-ynylsulfanyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-4-(prop-2-ynylthio)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-(propargylthio)pyrazolo[3,4-d]pyrimidine Formula: C14H10N4S MolecularWeight: 266.321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

C#CCSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C14H10N4S/c1-2-8-19-14-12-9-17-18(13(12)15-10-16-14)11-6-4-3-5-7-11/h1,3-7,9-10H,8H2