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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-p-toluoyl-piperazino)pyrimidin-2-yl]thio]-N-isoamyl-acetamide Formula: C24H32ClN5O2S MolecularWeight: 490.06118

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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)NCCC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H32ClN5O2S/c1-16(2)9-10-26-22(31)15-33-24-27-20(25)13-21(28-24)29-11-12-30(18(4)14-29)23(32)19-7-5-17(3)6-8-19/h5-8,13,16,18H,9-12,14-15H2,1-4H3,(H,26,31)