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

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H18N6O4S MolecularWeight: 450.47042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O4S/c1-2-31-15-8-9-17(18(10-15)27(29)30)25-19(28)12-32-21-16-11-24-26(20(16)22-13-23-21)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,25,28)