N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C20H19N7OS MolecularWeight: 405.47616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C20H19N7OS/c1-26-19-15(10-23-26)20(22-12-21-19)29-11-18(28)24-17-9-16(13-7-8-13)25-27(17)14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,24,28)