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

Systemtic Name: 3-methanoyl-5-methylsulfanyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 7-(benzylamino)-3-formyl-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 3-formyl-5-(methylthio)-7-[(phenylmethyl)amino]-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 7-(benzylamino)-3-formyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 7-(benzylamino)-3-formyl-5-(methylthio)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5OS/c1-23-16-13(7-17)15(18-8-11-5-3-2-4-6-11)21-14(20-16)12(10-22)9-19-21/h2-6,9-10,18H,8H2,1H3