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

Systemtic Name: N-(methylcarbamoyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(methylcarbamoyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(methylcarbamoyl)-2-phenyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(methylcarbamoyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(methylcarbamoyl)-2-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H18N6O2S MolecularWeight: 418.47162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O2S/c1-22-21(29)26-19(28)17(14-8-4-2-5-9-14)30-20-16-12-25-27(18(16)23-13-24-20)15-10-6-3-7-11-15/h2-13,17H,1H3,(H2,22,26,28,29)