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

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]-N-(2-dimethylaminoethyl)acetamide Formula: C20H33ClN6O2S MolecularWeight: 457.03302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33ClN6O2S/c1-5-6-7-19(29)27-11-10-26(13-15(27)2)17-12-16(21)23-20(24-17)30-14-18(28)22-8-9-25(3)4/h12,15H,5-11,13-14H2,1-4H3,(H,22,28)