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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-methyl-3-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=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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