6-methylsulfanyl-N-[(4-nitrophenyl)methyl]-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-methylsulfanyl-N-[(4-nitrophenyl)methyl]-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-isopropyl-6-methylsulfanyl-N-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(methylthio)-N-[(4-nitrophenyl)methyl]-1-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-methylsulfanyl-N-[(4-nitrophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-isopropyl-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-(4-nitrobenzyl)amine Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=NC(=N2)SC)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=NC(=N2)SC)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O2S/c1-10(2)21-15-13(9-18-21)14(19-16(20-15)25-3)17-8-11-4-6-12(7-5-11)22(23)24/h4-7,9-10H,8H2,1-3H3,(H,17,19,20)