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

Systemtic Name: 5-chloranyl-N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-isopropylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-[(2-furanylmethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(propan-2-ylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propan-2-ylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(isopropylthio)pyrimidine-4-carboxamide Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)Cl

Isomeric SMILES

CC(C)SC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)Cl

InChI

InChI=1S/C22H23ClN4O3S2/c1-12(2)31-22-25-11-15(23)18(26-22)20(29)27-21-17(14-7-3-4-8-16(14)32-21)19(28)24-10-13-6-5-9-30-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,24,28)(H,27,29)