2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(2-dimethylaminoethyl)acetamide Formula: C20H31ClN6O2S MolecularWeight: 455.01714

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)C3CCCC3

Isomeric SMILES

CN(C)CCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)C3CCCC3

InChI

InChI=1S/C20H31ClN6O2S/c1-25(2)8-7-22-18(28)14-30-20-23-16(21)13-17(24-20)26-9-11-27(12-10-26)19(29)15-5-3-4-6-15/h13,15H,3-12,14H2,1-2H3,(H,22,28)