1-(3-chlorophenyl)-4-prop-2-enylsulfanyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3-chlorophenyl)-4-prop-2-enylsulfanyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-allylsulfanyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chlorophenyl)-4-(prop-2-enylthio)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chlorophenyl)-4-prop-2-enylsulfanylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(allylthio)-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine Formula: C14H11ClN4S MolecularWeight: 302.78194

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=NC2=C1C=NN2C3=CC(=CC=C3)Cl

Isomeric SMILES

C=CCSC1=NC=NC2=C1C=NN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H11ClN4S/c1-2-6-20-14-12-8-18-19(13(12)16-9-17-14)11-5-3-4-10(15)7-11/h2-5,7-9H,1,6H2