6-methylsulfanyl-N-[(4-nitrophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-methylsulfanyl-N-[(4-nitrophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-methylsulfanyl-N-[(4-nitrophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(methylthio)-N-[(4-nitrophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: 6-methylsulfanyl-N-[(4-nitrophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-(4-nitrobenzyl)amine Formula: C13H12N6O2S MolecularWeight: 316.33838

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2)C(=N1)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(C=NN2)C(=N1)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O2S/c1-22-13-16-11(10-7-15-18-12(10)17-13)14-6-8-2-4-9(5-3-8)19(20)21/h2-5,7H,6H2,1H3,(H2,14,15,16,17,18)