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

Systemtic Name: 5-methylsulfanyl-3-methylsulfonyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 7-(benzylamino)-5-methylsulfanyl-3-methylsulfonyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 3-methylsulfonyl-5-(methylthio)-7-[(phenylmethyl)amino]-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 7-(benzylamino)-5-methylsulfanyl-3-methylsulfonylpyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 7-(benzylamino)-3-mesyl-5-(methylthio)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C16H15N5O2S2 MolecularWeight: 373.4526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2S2/c1-24-16-12(8-17)14(18-9-11-6-4-3-5-7-11)21-15(20-16)13(10-19-21)25(2,22)23/h3-7,10,18H,9H2,1-2H3