2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(2-furfuryl)acetamide Formula: C21H26ClN5O3S MolecularWeight: 463.98084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CO4)Cl

Isomeric SMILES

C1CCC(C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CO4)Cl

InChI

InChI=1S/C21H26ClN5O3S/c22-17-12-18(26-7-9-27(10-8-26)20(29)15-4-1-2-5-15)25-21(24-17)31-14-19(28)23-13-16-6-3-11-30-16/h3,6,11-12,15H,1-2,4-5,7-10,13-14H2,(H,23,28)