N-(2-methyl-6-nitro-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-methyl-6-nitro-phenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C15H14N6O3S MolecularWeight: 358.37506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C15H14N6O3S/c1-9-4-3-5-11(21(23)24)13(9)19-12(22)7-25-15-10-6-18-20(2)14(10)16-8-17-15/h3-6,8H,7H2,1-2H3,(H,19,22)