N-(furan-2-ylmethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(2-furylmethyl)-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(2-furanylmethyl)-2-[[2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(2-furfuryl)-2-[[2-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H23N5O3S/c28-20(25-15-17-5-3-14-30-17)16-31-19-7-2-1-6-18(19)21(29)26-10-12-27(13-11-26)22-23-8-4-9-24-22/h1-9,14H,10-13,15-16H2,(H,25,28)