5-methylsulfanyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

Systemtic Name: 5-methylsulfanyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile Openeye Name: 7-(benzylamino)-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile CAS Name: 5-(methylthio)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile IUPAC Name: 7-(benzylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile Traditional Name: 7-(benzylamino)-5-(methylthio)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile Formula: C16H12N6S MolecularWeight: 320.37168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2C(=C1C#N)NCC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=NC2=C(C=NN2C(=C1C#N)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C16H12N6S/c1-23-16-13(8-18)15(19-9-11-5-3-2-4-6-11)22-14(21-16)12(7-17)10-20-22/h2-6,10,19H,9H2,1H3