5-chloranyl-N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-[(2-furanylmethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-mesyl-pyrimidine-4-carboxamide Formula: C20H19ClN4O5S2 MolecularWeight: 494.97166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)Cl

InChI

InChI=1S/C20H19ClN4O5S2/c1-32(28,29)20-23-10-13(21)16(24-20)18(27)25-19-15(12-6-2-3-7-14(12)31-19)17(26)22-9-11-5-4-8-30-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,22,26)(H,25,27)