3-methylsulfanyl-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-methylsulfanyl-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-methylsulfanyl-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(methylthio)-1-(4-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-methylsulfanyl-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(methylthio)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C12H10N6O2S MolecularWeight: 302.3118

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C2=C1C(=NC=N2)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN(C2=C1C(=NC=N2)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O2S/c1-21-12-9-10(13)14-6-15-11(9)17(16-12)7-2-4-8(5-3-7)18(19)20/h2-6H,1H3,(H2,13,14,15)