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

Systemtic Name: 1-methyl-6-methylsulfonyl-N-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-methyl-6-methylsulfonyl-N-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-methyl-6-methylsulfonyl-N-[(4-nitrophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-methyl-6-methylsulfonyl-N-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (6-mesyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-(4-nitrobenzyl)amine Formula: C14H14N6O4S MolecularWeight: 362.36376

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)S(=O)(=O)C)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)S(=O)(=O)C)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O4S/c1-19-13-11(8-16-19)12(17-14(18-13)25(2,23)24)15-7-9-3-5-10(6-4-9)20(21)22/h3-6,8H,7H2,1-2H3,(H,15,17,18)