N-[2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(6-isopropyl-4-keto-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C23H21N5O4S/c1-13(2)14-11-21(29)26-23(24-14)28-20(10-15(27-28)19-8-5-9-33-19)25-22(30)18-12-31-16-6-3-4-7-17(16)32-18/h3-11,13,18H,12H2,1-2H3,(H,25,30)(H,24,26,29)