3-nitro-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzamide Openeye Name: 3-nitro-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzamide CAS Name: 3-nitro-4-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]benzamide IUPAC Name: 3-nitro-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzamide Traditional Name: 3-nitro-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]benzamide Formula: C19H14N6O3S MolecularWeight: 406.41786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O3S/c20-17(26)12-6-7-13(16(8-12)25(27)28)10-29-19-15-9-23-24(18(15)21-11-22-19)14-4-2-1-3-5-14/h1-9,11H,10H2,(H2,20,26)