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

Systemtic Name: 2-[4-chloranyl-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(3-cyclopentyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-chloro-6-[4-(3-cyclopentylpropanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-propyl-acetamide Formula: C22H34ClN5O2S MolecularWeight: 468.05566

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)CCC3CCCC3

Isomeric SMILES

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)CCC3CCCC3

InChI

InChI=1S/C22H34ClN5O2S/c1-3-10-24-20(29)15-31-22-25-18(23)13-19(26-22)27-11-12-28(16(2)14-27)21(30)9-8-17-6-4-5-7-17/h13,16-17H,3-12,14-15H2,1-2H3,(H,24,29)