4-methoxy-N-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]benzamide

Systemtic Name: 4-methoxy-N-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]benzamide Openeye Name: 4-methoxy-N-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]benzamide CAS Name: 4-methoxy-N-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]benzamide IUPAC Name: 4-methoxy-N-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]benzamide Traditional Name: 4-methoxy-N-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]benzamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3S/c1-29-16-9-7-14(8-10-16)20(28)25-18(27)12-30-21-17-11-24-26(19(17)22-13-23-21)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,25,27,28)