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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)Cl

InChI

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