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

Systemtic Name: 6-methylsulfonyl-N-[(4-nitrophenyl)methyl]-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-isopropyl-6-methylsulfonyl-N-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-methylsulfonyl-N-[(4-nitrophenyl)methyl]-1-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-methylsulfonyl-N-[(4-nitrophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-isopropyl-6-mesyl-pyrazolo[3,4-d]pyrimidin-4-yl)-(4-nitrobenzyl)amine Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O4S/c1-10(2)21-15-13(9-18-21)14(19-16(20-15)27(3,25)26)17-8-11-4-6-12(7-5-11)22(23)24/h4-7,9-10H,8H2,1-3H3,(H,17,19,20)