1-(3,4-dihydro-2H-thiochromen-8-ylsulfonyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-8-ylsulfonyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-thiochroman-8-ylsulfonyl-urea CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-8-ylsulfonyl)-3-(4,6-dimethoxy-2-pyrimidinyl)urea IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-8-ylsulfonyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-thiochroman-8-ylsulfonyl-urea Formula: C16H18N4O5S2 MolecularWeight: 410.46792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2SCCC3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC3=C2SCCC3)OC

InChI

InChI=1S/C16H18N4O5S2/c1-24-12-9-13(25-2)18-15(17-12)19-16(21)20-27(22,23)11-7-3-5-10-6-4-8-26-14(10)11/h3,5,7,9H,4,6,8H2,1-2H3,(H2,17,18,19,20,21)