5-methylsulfanyl-3-nitro-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-methylsulfanyl-3-nitro-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 5-methylsulfanyl-3-nitro-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 5-(methylthio)-3-nitro-7-(pyridin-4-ylmethylamino)-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 5-methylsulfanyl-3-nitro-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 5-(methylthio)-3-nitro-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C14H11N7O2S MolecularWeight: 341.34784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2C(=C1C#N)NCC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(C=NN2C(=C1C#N)NCC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N7O2S/c1-24-14-10(6-15)12(17-7-9-2-4-16-5-3-9)20-13(19-14)11(8-18-20)21(22)23/h2-5,8,17H,7H2,1H3