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

Systemtic Name: 1-(phenylmethyl)-4-prop-2-ynylsulfanyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-prop-2-ynylsulfanyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-(phenylmethyl)-4-(prop-2-ynylthio)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-(propargylthio)pyrazolo[3,4-d]pyrimidine Formula: C15H12N4S MolecularWeight: 280.34758

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC=NC2=C1C=NN2CC3=CC=CC=C3

Isomeric SMILES

C#CCSC1=NC=NC2=C1C=NN2CC3=CC=CC=C3

InChI

InChI=1S/C15H12N4S/c1-2-8-20-15-13-9-18-19(14(13)16-11-17-15)10-12-6-4-3-5-7-12/h1,3-7,9,11H,8,10H2