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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-2-phenylacetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-2-phenyl-acetamide Formula: C20H15ClN6O3S MolecularWeight: 454.8895

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN6O3S/c1-26-18-14(10-24-26)20(23-11-22-18)31-17(12-5-3-2-4-6-12)19(28)25-13-7-8-15(21)16(9-13)27(29)30/h2-11,17H,1H3,(H,25,28)