2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-p-toluoyl-piperazino)pyrimidin-2-yl]thio]-N-(2-furfuryl)acetamide Formula: C24H26ClN5O3S MolecularWeight: 500.01294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CO4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CO4)Cl

InChI

InChI=1S/C24H26ClN5O3S/c1-16-5-7-18(8-6-16)23(32)30-10-9-29(14-17(30)2)21-12-20(25)27-24(28-21)34-15-22(31)26-13-19-4-3-11-33-19/h3-8,11-12,17H,9-10,13-15H2,1-2H3,(H,26,31)