1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]ethanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N4O3S/c1-3-24-11-15(13(2)23-24)16-6-7-21-20(22-16)28-12-17(25)14-4-5-18-19(10-14)27-9-8-26-18/h4-7,10-11H,3,8-9,12H2,1-2H3