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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C23H30ClN5O2S MolecularWeight: 476.0346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C23H30ClN5O2S/c1-4-5-6-22(31)29-12-11-28(14-17(29)3)20-13-19(24)26-23(27-20)32-15-21(30)25-18-9-7-16(2)8-10-18/h7-10,13,17H,4-6,11-12,14-15H2,1-3H3,(H,25,30)