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

Systemtic Name: 2-[4-chloranyl-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(3-cyclopentyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(3-methoxypropyl)acetamide Formula: C23H36ClN5O3S MolecularWeight: 498.08164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CCC2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCCCOC)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CCC2CCCC2)C3=CC(=NC(=N3)SCC(=O)NCCCOC)Cl

InChI

InChI=1S/C23H36ClN5O3S/c1-17-15-28(11-12-29(17)22(31)9-8-18-6-3-4-7-18)20-14-19(24)26-23(27-20)33-16-21(30)25-10-5-13-32-2/h14,17-18H,3-13,15-16H2,1-2H3,(H,25,30)