5-chloranyl-2-ethylsulfanyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[2-(phenylcarbamoyl)benzofuran-3-yl]pyrimidine-4-carboxamide CAS Name: N-[2-[anilino(oxo)methyl]-3-benzofuranyl]-5-chloro-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-[2-(phenylcarbamoyl)benzofuran-3-yl]pyrimidine-4-carboxamide Formula: C22H17ClN4O3S MolecularWeight: 452.91338

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H17ClN4O3S/c1-2-31-22-24-12-15(23)18(27-22)20(28)26-17-14-10-6-7-11-16(14)30-19(17)21(29)25-13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,25,29)(H,26,28)