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

Systemtic Name: 2-methyl-N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: 2-methyl-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: 2-methyl-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: 2-methyl-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC(=NN3C4=NC(=O)C=C(N4)C)C5=CC=CS5

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC(=NN3C4=NC(=O)C=C(N4)C)C5=CC=CS5

InChI

InChI=1S/C22H19N5O4S/c1-12-10-19(28)25-22(23-12)27-18(11-14(26-27)17-8-5-9-32-17)24-21(29)20-13(2)30-15-6-3-4-7-16(15)31-20/h3-11,13,20H,1-2H3,(H,24,29)(H,23,25,28)