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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C20H16N6O3S MolecularWeight: 420.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O3S/c1-13-7-8-14(9-17(13)26(28)29)24-18(27)11-30-20-16-10-23-25(19(16)21-12-22-20)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,24,27)