N-(4,6-dimethoxypyrimidin-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4,6-dimethoxy-2-pyrimidinyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C19H17N7O3S MolecularWeight: 423.44838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C19H17N7O3S/c1-28-15-8-16(29-2)25-19(24-15)23-14(27)10-30-18-13-9-22-26(17(13)20-11-21-18)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,23,24,25,27)